#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfu s ASN 65 N 0.00 5.97 0.13 6.41 -0.87 -1.26 -4.89 114.94 120.44 1xfu s ASN 65 Ca 0.00 1.84 -0.13 0.00 -1.57 0.00 0.00 52.86 53.00 1xfu s ASN 65 Cb 0.00 -2.52 -0.02 0.00 -0.02 0.00 0.00 41.25 38.69 1xfu s ASN 65 CO 0.00 -1.56 1.54 0.25 -2.57 0.00 0.00 177.10 174.76 1xfu h LEU 66 N 13.09 0.83 -8.62 0.60 5.85 -1.96 -3.43 115.31 121.67 1xfu h LEU 66 Ca -0.39 -0.37 -0.67 0.00 0.84 0.00 0.00 57.88 57.29 1xfu h LEU 66 Cb 1.20 -0.23 -0.21 0.00 0.37 0.00 0.00 40.66 41.79 1xfu h LEU 66 CO 0.98 1.01 -0.54 0.54 -0.34 0.00 0.00 178.44 180.09 1xfu s VAL 67 N -4.78 4.78 -0.23 1.05 0.11 -1.26 0.85 120.40 120.91 1xfu s VAL 67 Ca -0.12 -0.32 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 1xfu s VAL 67 Cb 0.11 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.50 1xfu s VAL 67 CO 0.83 0.08 0.08 -0.54 -3.33 0.00 0.00 175.10 172.22 1xfu s LYS 68 N 1.65 3.76 -0.41 1.54 3.01 -0.19 -4.95 119.74 124.15 1xfu s LYS 68 Ca 0.05 -0.43 -0.14 0.00 -1.01 0.00 0.00 55.97 54.43 1xfu s LYS 68 Cb -0.17 -3.32 0.02 0.00 -1.01 0.00 0.00 37.83 33.35 1xfu s LYS 68 CO 0.07 -0.07 0.29 0.95 0.51 0.00 0.00 175.35 177.10 1xfu s THR 69 N 1.31 5.17 0.01 2.17 -4.23 -1.26 -1.73 115.64 117.08 1xfu s THR 69 Ca 0.05 -0.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 1xfu s THR 69 Cb -0.15 -3.89 -0.09 0.00 1.34 0.00 0.00 72.50 69.72 1xfu s THR 69 CO 0.04 -0.31 0.99 -0.08 -0.54 0.00 0.00 174.62 174.72 1xfu h GLU 70 N 8.61 -0.54 -4.93 3.99 4.57 0.03 -3.43 114.58 122.88 1xfu h GLU 70 Ca -0.27 0.04 -0.66 0.00 -1.18 0.00 0.00 59.36 57.29 1xfu h GLU 70 Cb 1.12 0.12 -0.25 0.00 -0.16 0.00 0.00 28.75 29.58 1xfu h GLU 70 CO 0.73 -0.36 -0.66 0.12 -1.18 0.00 0.00 179.01 177.66 1xfu s PHE 71 N -3.82 3.06 -0.83 0.92 5.99 -1.26 -4.92 117.98 117.12 1xfu s PHE 71 Ca -0.08 -0.73 0.06 0.00 0.00 0.00 0.00 56.93 56.18 1xfu s PHE 71 Cb 0.01 -2.20 0.33 0.00 0.00 0.00 0.00 43.02 41.16 1xfu s PHE 71 CO 0.25 -0.47 1.04 0.25 -0.00 0.00 0.00 175.22 176.28 1xfu n THR 72 N 4.87 1.07 0.00 0.12 -2.24 -1.26 -4.71 114.28 112.13 1xfu n THR 72 Ca -0.16 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1xfu n THR 72 Cb 0.50 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1xfu n THR 72 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xfu n ASN 73 N 0.27 0.00 -3.81 3.42 5.15 -1.26 -4.64 115.26 114.39 1xfu n ASN 73 Ca 0.11 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.97 1xfu n ASN 73 Cb 0.60 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.88 1xfu n ASN 73 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xfu n GLU 74 N 0.00 -0.20 0.00 1.20 4.71 -1.26 -4.97 120.64 120.12 1xfu n GLU 74 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1xfu n GLU 74 Cb 0.00 -1.05 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 1xfu n GLU 74 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1xfu n THR 75 N -3.26 0.00 -0.01 2.62 -2.24 -1.26 -4.89 114.28 105.24 1xfu n THR 75 Ca -0.00 0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.91 1xfu n THR 75 Cb 0.24 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 1xfu n THR 75 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xfu n LEU 76 N -0.24 0.78 -0.03 3.22 7.99 -1.26 -4.70 117.00 122.76 1xfu n LEU 76 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 1xfu n LEU 76 Cb 0.00 -0.28 0.01 0.00 -0.11 0.00 0.00 43.42 43.04 1xfu n LEU 76 CO 0.00 -0.20 0.05 0.47 -1.51 0.00 0.00 177.39 176.20 1xfu n ASP 77 N -3.45 -0.04 0.27 -1.43 10.43 -1.26 0.28 116.55 121.35 1xfu n ASP 77 Ca -0.08 0.13 -0.15 0.00 2.57 0.00 0.00 54.79 57.27 1xfu n ASP 77 Cb 0.39 -0.04 -0.08 0.00 1.84 0.00 0.00 41.12 43.24 1xfu n ASP 77 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1xfu h LYS 78 N 0.00 -0.67 0.25 -1.24 1.63 -1.90 -2.68 116.57 111.97 1xfu h LYS 78 Ca 0.03 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1xfu h LYS 78 Cb 0.05 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1xfu h LYS 78 CO -0.08 -0.36 -0.15 0.82 -3.45 0.00 0.00 179.45 176.23 1xfu h ILE 79 N -0.96 0.00 0.00 2.00 2.04 0.37 0.14 117.51 121.10 1xfu h ILE 79 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1xfu h ILE 79 Cb 0.61 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1xfu h ILE 79 CO 0.12 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.94 1xfu n GLN 80 N -3.14 0.00 0.00 2.37 -0.06 0.81 0.04 117.38 117.39 1xfu n GLN 80 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.95 1xfu n GLN 80 Cb 0.15 -0.88 0.00 0.00 -4.06 0.00 0.00 30.24 25.45 1xfu n GLN 80 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1xfu n GLN 81 N 0.32 0.00 -0.22 3.69 7.27 -0.86 -4.47 117.38 123.11 1xfu n GLN 81 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1xfu n GLN 81 Cb 0.00 -0.25 0.07 0.00 2.41 0.00 0.00 30.24 32.46 1xfu n GLN 81 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1xfu h THR 82 N 0.00 1.07 0.19 1.69 1.35 0.24 -1.53 112.91 115.91 1xfu h THR 82 Ca 0.00 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1xfu h THR 82 Cb 0.48 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1xfu h THR 82 CO 0.00 0.14 -0.23 1.56 -0.25 0.00 0.00 175.52 176.74 1xfu h GLN 83 N 0.76 -0.41 -1.43 4.72 4.20 -1.46 0.21 115.11 121.70 1xfu h GLN 83 Ca 0.26 0.03 0.46 0.00 0.06 0.00 0.00 58.65 59.46 1xfu h GLN 83 Cb 0.04 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.81 1xfu h GLN 83 CO -0.11 -0.28 0.97 -0.25 -0.67 0.00 0.00 178.83 178.49 1xfu n ASP 84 N -3.76 0.13 -0.04 1.46 9.92 -0.98 0.17 116.55 123.44 1xfu n ASP 84 Ca -0.05 1.14 -0.13 0.00 -0.53 0.00 0.00 54.79 55.22 1xfu n ASP 84 Cb 0.20 -0.56 -0.08 0.00 -0.64 0.00 0.00 41.12 40.04 1xfu n ASP 84 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1xfu h LEU 85 N 0.00 0.22 -0.22 0.64 5.85 0.03 -3.23 115.31 118.60 1xfu h LEU 85 Ca 0.82 -0.50 -0.15 0.00 0.84 0.00 0.00 57.88 58.89 1xfu h LEU 85 Cb 2.86 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.83 1xfu h LEU 85 CO -0.29 0.67 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.97 1xfu h LEU 86 N -0.23 0.78 -0.01 2.25 3.38 0.26 -2.88 115.31 118.87 1xfu h LEU 86 Ca 0.01 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1xfu h LEU 86 Cb 0.61 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xfu h LEU 86 CO 0.02 1.18 0.00 2.29 0.09 0.00 0.00 178.44 182.02 1xfu n LYS 87 N -4.17 0.00 -0.04 1.13 2.85 0.04 -2.04 118.16 115.93 1xfu n LYS 87 Ca -0.05 0.45 -0.01 0.00 -1.05 0.00 0.00 58.31 57.65 1xfu n LYS 87 Cb 0.57 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.44 1xfu n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1xfu h LYS 88 N 0.00 0.00 -6.59 -1.58 3.11 -1.52 -3.46 116.57 106.53 1xfu h LYS 88 Ca 0.00 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 57.25 1xfu h LYS 88 Cb 0.05 0.00 0.10 0.00 -1.00 0.00 0.00 32.23 31.38 1xfu h LYS 88 CO 0.00 0.00 0.42 -0.89 -2.81 0.00 0.00 179.45 176.17 1xfu n ILE 89 N -3.82 1.59 -1.80 2.00 5.41 -0.87 -4.87 119.36 117.00 1xfu n ILE 89 Ca -0.01 -0.40 -0.42 0.00 1.00 0.00 0.00 62.75 62.92 1xfu n ILE 89 Cb 0.04 -1.33 -0.03 0.00 -0.71 0.00 0.00 39.64 37.61 1xfu n ILE 89 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xfu s PRO 90 N -1.22 4.16 0.39 0.38 0.04 -1.26 -4.84 135.00 132.65 1xfu s PRO 90 Ca 0.62 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1xfu s PRO 90 Cb -0.65 -3.89 0.01 0.00 0.04 0.00 0.00 34.50 30.00 1xfu s PRO 90 CO 0.57 -0.86 0.80 -0.22 0.04 0.00 0.00 177.00 177.33 1xfu h LYS 91 N 9.50 0.00 0.04 4.56 1.63 -1.89 0.95 116.57 131.36 1xfu h LYS 91 Ca -0.45 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 58.97 1xfu h LYS 91 Cb 1.21 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.80 1xfu h LYS 91 CO 0.94 0.00 -2.17 -0.25 -3.45 0.00 0.00 179.45 174.52 1xfu n ASP 92 N -1.90 2.01 -0.15 4.20 8.00 -1.26 -3.18 116.55 124.27 1xfu n ASP 92 Ca -0.00 0.13 0.18 0.00 0.71 0.00 0.00 54.79 55.81 1xfu n ASP 92 Cb 0.79 -0.70 0.56 0.00 -0.02 0.00 0.00 41.12 41.75 1xfu n ASP 92 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1xfu h VAL 93 N -0.28 0.74 0.57 2.53 3.04 0.63 0.13 116.25 123.60 1xfu h VAL 93 Ca -0.52 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 1xfu h VAL 93 Cb 1.82 0.41 0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1xfu h VAL 93 CO -0.11 0.06 -0.27 -0.07 -1.01 0.00 0.00 177.57 176.17 1xfu h LEU 94 N 0.31 -0.64 -1.60 3.16 3.38 -1.56 -2.75 115.31 115.60 1xfu h LEU 94 Ca 0.38 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.39 1xfu h LEU 94 Cb 1.02 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1xfu h LEU 94 CO -0.10 -0.27 0.58 -0.33 0.09 0.00 0.00 178.44 178.41 1xfu h GLU 95 N -1.10 0.00 -0.15 1.13 4.39 -1.01 2.78 114.58 120.63 1xfu h GLU 95 Ca -0.08 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.44 1xfu h GLU 95 Cb 0.64 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1xfu h GLU 95 CO 0.13 0.00 -0.66 0.82 -1.16 0.00 0.00 179.01 178.13 1xfu h ILE 96 N 0.00 1.33 0.58 3.13 2.04 -0.84 -2.86 117.51 120.90 1xfu h ILE 96 Ca 0.13 -1.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.01 1xfu h ILE 96 Cb 1.28 1.93 0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1xfu h ILE 96 CO -0.00 0.60 -0.28 0.22 0.00 0.00 0.00 178.15 178.69 1xfu h TYR 97 N 0.41 -0.72 0.00 1.37 3.20 0.50 -1.40 116.97 120.33 1xfu h TYR 97 Ca -0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1xfu h TYR 97 Cb 1.24 0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.75 1xfu h TYR 97 CO 0.06 -0.45 0.00 -1.13 -1.64 0.00 0.00 178.16 175.00 1xfu n SER 98 N -5.25 0.33 0.00 -2.11 3.41 0.61 -0.60 113.62 110.01 1xfu n SER 98 Ca -0.10 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1xfu n SER 98 Cb 0.31 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1xfu n SER 98 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xfu n GLU 99 N 0.45 0.00 0.00 4.33 4.07 -1.08 -4.45 120.64 123.96 1xfu n GLU 99 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xfu n GLU 99 Cb 0.07 -0.78 0.00 0.00 -0.06 0.00 0.00 31.44 30.67 1xfu n GLU 99 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1xfu n LEU 100 N -2.42 0.49 -1.06 4.31 4.77 0.23 -4.71 117.00 118.60 1xfu n LEU 100 Ca 0.00 -0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.60 1xfu n LEU 100 Cb 0.39 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1xfu n LEU 100 CO 0.00 0.12 -0.13 0.61 -1.33 0.00 0.00 177.39 176.66 1xfu n GLY 101 N 0.18 1.27 3.81 -0.72 0.00 -1.08 -4.11 105.19 104.54 1xfu n GLY 101 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1xfu n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xfu s GLY 102 N -2.82 1.60 -0.10 -0.02 0.00 0.13 -4.53 107.32 101.58 1xfu s GLY 102 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 44.72 44.22 1xfu s GLY 102 CO 0.00 0.12 0.37 -0.54 0.00 0.00 0.00 173.10 173.05 1xfu s GLU 103 N -5.24 0.52 -0.08 2.90 2.02 -1.05 -4.42 118.70 113.36 1xfu s GLU 103 Ca 0.62 0.32 0.01 0.00 0.02 0.00 0.00 54.97 55.93 1xfu s GLU 103 Cb -0.14 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.31 1xfu s GLU 103 CO 0.53 -0.10 -0.09 0.42 0.02 0.00 0.00 175.26 176.05 1xfu s ILE 104 N -0.26 3.54 -0.20 -1.63 1.01 0.25 -1.99 121.20 121.91 1xfu s ILE 104 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1xfu s ILE 104 Cb -0.03 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1xfu s ILE 104 CO 0.02 0.58 -0.14 -0.31 0.00 0.00 0.00 174.94 175.09 1xfu s TYR 105 N -0.55 2.87 -0.43 3.97 1.51 1.25 -1.02 117.35 124.95 1xfu s TYR 105 Ca 0.08 -1.42 -0.06 0.00 -1.01 0.00 0.00 57.07 54.66 1xfu s TYR 105 Cb -0.12 -1.99 0.11 0.00 -0.11 0.00 0.00 41.96 39.85 1xfu s TYR 105 CO 0.02 -0.72 0.26 -0.06 -1.11 0.00 0.00 175.55 173.94 1xfu s PHE 106 N 1.35 3.47 0.38 2.71 0.08 -0.70 0.34 117.98 125.61 1xfu s PHE 106 Ca 0.05 -2.02 0.08 0.00 0.12 0.00 0.00 56.93 55.15 1xfu s PHE 106 Cb -0.14 -3.23 -0.02 0.00 -0.57 0.00 0.00 43.02 39.07 1xfu s PHE 106 CO -0.09 -0.95 0.39 0.95 -0.10 0.00 0.00 175.22 175.42 1xfu s THR 107 N 1.28 3.16 0.00 0.64 -4.23 0.72 0.80 115.64 118.02 1xfu s THR 107 Ca 0.06 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1xfu s THR 107 Cb -0.24 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1xfu s THR 107 CO -0.02 -0.07 0.00 -0.67 -0.54 0.00 0.00 174.62 173.32 1xfu n ASP 108 N -1.55 0.00 -0.94 3.99 4.64 -1.26 -3.92 116.55 117.50 1xfu n ASP 108 Ca 0.02 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.47 1xfu n ASP 108 Cb 0.60 0.00 0.15 0.00 -1.04 0.00 0.00 41.12 40.83 1xfu n ASP 108 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1xfu n ILE 109 N 0.00 1.62 0.48 5.18 5.41 -1.26 -3.28 119.36 127.50 1xfu n ILE 109 Ca 0.00 -2.69 0.00 0.00 1.00 0.00 0.00 62.75 61.06 1xfu n ILE 109 Cb 0.00 0.08 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 1xfu n ILE 109 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1xfu n ASP 110 N -0.66 0.28 0.00 4.38 9.92 -1.26 -4.62 116.55 124.58 1xfu n ASP 110 Ca 0.16 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.67 1xfu n ASP 110 Cb 0.83 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 1xfu n ASP 110 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1xfu n LEU 111 N 0.09 0.00 0.00 0.64 4.77 -1.26 -3.56 117.00 117.68 1xfu n LEU 111 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xfu n LEU 111 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1xfu n LEU 111 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.58 1xfu n VAL 112 N -0.58 0.00 0.04 4.08 0.31 -1.26 -4.67 118.33 116.24 1xfu n VAL 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xfu n VAL 112 Cb 0.00 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1xfu n VAL 112 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xfu n GLU 113 N -1.05 0.08 0.05 5.55 1.02 -1.26 -3.55 120.64 121.47 1xfu n GLU 113 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1xfu n GLU 113 Cb 0.00 -1.46 0.05 0.00 -0.02 0.00 0.00 31.44 30.01 1xfu n GLU 113 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xfu n HIS 114 N 1.30 0.44 -1.72 -0.32 8.25 -1.23 -4.51 115.22 117.43 1xfu n HIS 114 Ca 0.00 0.13 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1xfu n HIS 114 Cb 0.04 -0.58 -0.03 0.00 1.12 0.00 0.00 29.99 30.54 1xfu n HIS 114 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xfu n LYS 115 N -2.13 2.75 0.00 -0.41 0.00 -1.23 -4.72 118.16 112.42 1xfu n LYS 115 Ca 0.02 0.99 0.00 0.00 0.00 0.00 0.00 58.31 59.32 1xfu n LYS 115 Cb 0.46 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.66 1xfu n LYS 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xfu n GLU 116 N 3.72 0.00 -0.08 1.64 0.28 -1.26 0.15 120.64 125.10 1xfu n GLU 116 Ca 0.15 0.15 0.01 0.00 -0.16 0.00 0.00 57.16 57.32 1xfu n GLU 116 Cb 0.35 -1.59 0.02 0.00 1.43 0.00 0.00 31.44 31.65 1xfu n GLU 116 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1xfu n LEU 117 N -1.06 1.08 -1.03 -1.84 7.99 -1.26 -4.83 117.00 116.06 1xfu n LEU 117 Ca 0.00 -1.33 0.08 0.00 -0.01 0.00 0.00 56.01 54.75 1xfu n LEU 117 Cb 0.09 -0.06 0.25 0.00 -0.11 0.00 0.00 43.42 43.59 1xfu n LEU 117 CO 0.00 0.32 0.71 0.00 -1.51 0.00 0.00 177.39 176.91 1xfu n GLN 118 N -0.40 2.98 -0.43 3.23 1.13 0.41 -5.02 117.38 119.28 1xfu n GLN 118 Ca 0.02 -2.44 -0.04 0.00 -1.94 0.00 0.00 57.00 52.60 1xfu n GLN 118 Cb 0.46 -1.51 0.03 0.00 0.11 0.00 0.00 30.24 29.33 1xfu n GLN 118 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xfu n ASP 119 N 0.87 0.06 -4.55 1.08 10.43 -1.26 -4.75 116.55 118.42 1xfu n ASP 119 Ca 0.19 -1.10 -0.30 0.00 2.57 0.00 0.00 54.79 56.15 1xfu n ASP 119 Cb 0.60 -0.15 -0.04 0.00 1.84 0.00 0.00 41.12 43.37 1xfu n ASP 119 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1xfu s LEU 120 N 0.00 3.24 0.01 0.64 1.98 -1.26 -4.75 118.68 118.55 1xfu s LEU 120 Ca 0.12 0.63 0.00 0.00 -2.89 0.00 0.00 54.13 51.99 1xfu s LEU 120 Cb -0.00 -2.52 0.00 0.00 0.66 0.00 0.00 46.19 44.33 1xfu s LEU 120 CO 0.08 -3.07 0.00 -1.20 -1.89 0.00 0.00 176.35 170.28 1xfu n SER 121 N 16.12 0.03 -3.17 3.68 7.64 -1.26 -4.98 113.62 131.68 1xfu n SER 121 Ca 0.37 0.02 -0.20 0.00 1.01 0.00 0.00 58.87 60.07 1xfu n SER 121 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1xfu n SER 121 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1xfu n GLU 122 N -2.57 0.42 0.00 1.43 0.00 -1.26 -5.10 120.64 113.56 1xfu n GLU 122 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 57.16 54.31 1xfu n GLU 122 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 29.93 1xfu n GLU 122 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1xfu n GLU 123 N 2.42 0.00 -4.04 3.44 0.00 -1.26 -4.48 120.64 116.72 1xfu n GLU 123 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 57.07 1xfu n GLU 123 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.81 1xfu n GLU 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1xfu s GLU 124 N 0.43 2.43 -0.04 3.44 2.56 -1.26 -4.95 118.70 121.31 1xfu s GLU 124 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 54.97 53.70 1xfu s GLU 124 Cb 0.00 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.21 1xfu s GLU 124 CO 0.00 -0.51 -0.10 1.63 -0.56 0.00 0.00 175.26 175.72 1xfu n LYS 125 N 4.51 0.16 -4.42 4.30 4.76 -1.26 -5.04 118.16 121.17 1xfu n LYS 125 Ca -0.15 0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 55.08 1xfu n LYS 125 Cb 0.44 -0.77 -0.17 0.00 -1.84 0.00 0.00 35.03 32.69 1xfu n LYS 125 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xfu s ASN 126 N -5.79 2.27 -0.96 4.39 -0.87 -1.26 -5.12 114.94 107.61 1xfu s ASN 126 Ca -0.10 -0.39 -0.22 0.00 -1.57 0.00 0.00 52.86 50.59 1xfu s ASN 126 Cb 0.03 -1.01 0.08 0.00 -0.02 0.00 0.00 41.25 40.34 1xfu s ASN 126 CO 0.13 0.00 1.30 -0.44 -2.57 0.00 0.00 177.10 175.52 1xfu s SER 127 N 1.00 6.52 -0.27 -1.22 0.01 -1.26 -4.78 113.70 113.70 1xfu s SER 127 Ca -0.07 -1.61 0.22 0.00 1.31 0.00 0.00 55.95 55.80 1xfu s SER 127 Cb -0.15 -2.50 0.50 0.00 0.21 0.00 0.00 66.02 64.08 1xfu s SER 127 CO -0.01 -1.35 1.14 1.15 0.41 0.00 0.00 173.24 174.58 1xfu n MET 128 N 7.98 1.66 0.00 12.44 0.00 -1.26 -4.97 117.12 132.96 1xfu n MET 128 Ca 0.27 -3.27 0.00 0.00 0.00 0.00 0.00 57.70 54.69 1xfu n MET 128 Cb 0.50 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 32.33 1xfu n MET 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1xfu n ASN 129 N -0.65 0.00 -3.26 3.17 5.03 -1.26 -4.98 115.26 113.30 1xfu n ASN 129 Ca 0.05 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1xfu n ASN 129 Cb 0.81 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.57 1xfu n ASN 129 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1xfu n SER 130 N -0.02 -0.37 0.00 6.41 3.41 -1.26 -4.90 113.62 116.89 1xfu n SER 130 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1xfu n SER 130 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xfu n SER 130 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1xfu n ARG 131 N -0.50 0.00 0.00 4.33 0.63 -1.26 -4.30 116.66 115.56 1xfu n ARG 131 Ca 0.00 0.98 0.00 0.00 -0.92 0.00 0.00 57.85 57.91 1xfu n ARG 131 Cb 0.00 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.42 1xfu n ARG 131 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xfu n GLY 132 N -1.00 0.47 3.60 5.14 0.00 -1.26 -5.04 105.19 107.10 1xfu n GLY 132 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1xfu n GLY 132 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xfu s GLU 133 N 0.14 0.55 0.37 1.61 2.56 -1.26 -4.53 118.70 118.14 1xfu s GLU 133 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.26 1xfu s GLU 133 Cb 0.00 0.26 0.00 0.00 2.00 0.00 0.00 34.13 36.39 1xfu s GLU 133 CO 0.00 -0.14 0.00 1.17 -0.56 0.00 0.00 175.26 175.73 1xfu n LYS 134 N 1.22 0.00 -1.25 4.30 4.81 -1.26 -4.92 118.16 121.06 1xfu n LYS 134 Ca -0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.25 1xfu n LYS 134 Cb 0.57 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.59 1xfu n LYS 134 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1xfu n VAL 135 N -3.24 0.00 -1.29 3.15 3.14 -1.26 -4.95 118.33 113.89 1xfu n VAL 135 Ca 0.00 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.16 1xfu n VAL 135 Cb 0.00 -1.11 -0.10 0.00 -1.06 0.00 0.00 33.84 31.57 1xfu n VAL 135 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1xfu n PRO 136 N -2.38 2.41 0.00 1.45 -0.04 -1.26 -4.86 135.00 130.32 1xfu n PRO 136 Ca -0.09 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1xfu n PRO 136 Cb 0.33 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1xfu n PRO 136 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xfu n PHE 137 N 1.79 0.00 -0.11 0.54 7.35 -1.26 0.24 117.46 126.01 1xfu n PHE 137 Ca 0.49 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 57.37 1xfu n PHE 137 Cb 0.68 0.00 0.30 0.00 0.35 0.00 0.00 39.48 40.82 1xfu n PHE 137 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xfu n ALA 138 N -1.02 0.70 -1.00 3.13 0.00 -1.26 0.97 120.51 122.04 1xfu n ALA 138 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.57 1xfu n ALA 138 Cb 0.00 -0.42 0.26 0.00 0.00 0.00 0.00 19.45 19.29 1xfu n ALA 138 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xfu n SER 139 N -2.80 4.46 -4.70 0.00 3.41 0.14 -4.73 113.62 109.40 1xfu n SER 139 Ca 0.17 -3.27 -0.23 0.00 -0.26 0.00 0.00 58.87 55.27 1xfu n SER 139 Cb 1.21 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1xfu n SER 139 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xfu s ARG 140 N -2.96 2.48 0.00 4.33 1.81 0.27 -5.02 118.95 119.87 1xfu s ARG 140 Ca 0.53 -1.29 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 1xfu s ARG 140 Cb 0.43 -2.29 0.00 0.00 -0.45 0.00 0.00 34.95 32.64 1xfu s ARG 140 CO 0.12 0.38 0.14 1.97 -0.68 0.00 0.00 175.30 177.24 1xfu n PHE 141 N -0.89 0.00 -4.35 -0.53 -1.74 -1.26 -4.70 117.46 103.99 1xfu n PHE 141 Ca -0.07 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.62 1xfu n PHE 141 Cb 0.58 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.43 1xfu n PHE 141 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1xfu s VAL 142 N -0.24 0.73 -0.15 1.97 1.01 -1.26 -2.09 120.40 120.36 1xfu s VAL 142 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1xfu s VAL 142 Cb 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 36.38 35.80 1xfu s VAL 142 CO 0.00 0.23 0.76 0.12 0.00 0.00 0.00 175.10 176.22 1xfu s PHE 143 N 0.27 -0.64 -0.23 5.22 5.36 -0.45 -5.01 117.98 122.50 1xfu s PHE 143 Ca -0.04 1.30 -0.03 0.00 -0.96 0.00 0.00 56.93 57.19 1xfu s PHE 143 Cb -0.09 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 1xfu s PHE 143 CO 0.00 -0.48 -0.04 -2.00 -1.46 0.00 0.00 175.22 171.25 1xfu s GLU 144 N -0.60 3.23 -1.19 10.12 2.56 -1.26 -0.08 118.70 131.48 1xfu s GLU 144 Ca -0.05 -0.72 -0.19 0.00 0.00 0.00 0.00 54.97 54.01 1xfu s GLU 144 Cb -0.02 -3.02 -0.03 0.00 2.00 0.00 0.00 34.13 33.07 1xfu s GLU 144 CO 0.05 -0.26 1.96 1.17 -0.56 0.00 0.00 175.26 177.62 1xfu n LYS 145 N 4.77 2.35 -0.24 4.30 4.81 -0.02 -4.86 118.16 129.27 1xfu n LYS 145 Ca -0.18 -2.58 0.19 0.00 -0.87 0.00 0.00 58.31 54.87 1xfu n LYS 145 Cb 0.50 -3.36 0.29 0.00 0.02 0.00 0.00 35.03 32.48 1xfu n LYS 145 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1xfu n LYS 146 N 7.44 0.00 -0.01 1.64 2.85 -1.26 -4.18 118.16 124.64 1xfu n LYS 146 Ca 0.49 0.44 -0.13 0.00 -1.05 0.00 0.00 58.31 58.06 1xfu n LYS 146 Cb 0.43 -1.04 -0.14 0.00 -0.65 0.00 0.00 35.03 33.63 1xfu n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xfu n ARG 147 N -2.59 0.68 0.00 -1.58 1.74 -1.26 -4.91 116.66 108.74 1xfu n ARG 147 Ca 0.16 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1xfu n ARG 147 Cb 0.78 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1xfu n ARG 147 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1xfu n GLU 148 N -3.20 0.00 -3.31 5.56 4.07 -1.26 -5.02 120.64 117.49 1xfu n GLU 148 Ca -0.22 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.54 1xfu n GLU 148 Cb 1.05 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.37 1xfu n GLU 148 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1xfu s THR 149 N -0.75 4.81 0.20 6.31 -1.32 -1.26 -5.01 115.64 118.62 1xfu s THR 149 Ca 0.00 0.81 -0.30 0.00 -1.21 0.00 0.00 61.69 60.99 1xfu s THR 149 Cb 0.00 -3.70 -0.08 0.00 -1.51 0.00 0.00 72.50 67.21 1xfu s THR 149 CO 0.00 0.09 1.03 -2.16 -2.21 0.00 0.00 174.62 171.37 1xfu s PRO 150 N -2.34 4.70 -0.29 7.08 0.04 -1.26 -4.82 135.00 138.12 1xfu s PRO 150 Ca 0.43 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 1xfu s PRO 150 Cb -0.13 -3.28 0.09 0.00 0.04 0.00 0.00 34.50 31.22 1xfu s PRO 150 CO 0.20 0.25 0.09 0.15 0.04 0.00 0.00 177.00 177.73 1xfu s LYS 151 N -0.73 0.65 -0.21 4.56 1.02 -1.26 -2.53 119.74 121.23 1xfu s LYS 151 Ca 0.46 -0.88 -0.20 0.00 0.02 0.00 0.00 55.97 55.37 1xfu s LYS 151 Cb -0.28 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1xfu s LYS 151 CO 0.34 -0.92 0.60 -1.17 -0.92 0.00 0.00 175.35 173.28 1xfu s LEU 152 N 1.72 4.12 -0.16 3.17 2.96 -0.84 -0.84 118.68 128.82 1xfu s LEU 152 Ca 0.07 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 1xfu s LEU 152 Cb -0.17 -2.84 0.01 0.00 0.50 0.00 0.00 46.19 43.69 1xfu s LEU 152 CO -0.24 -0.28 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.69 1xfu s ILE 153 N 2.01 2.24 -0.01 6.68 1.01 0.89 0.39 121.20 134.42 1xfu s ILE 153 Ca 0.27 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1xfu s ILE 153 Cb -0.16 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1xfu s ILE 153 CO 0.10 0.53 0.22 -0.63 0.00 0.00 0.00 174.94 175.16 1xfu s ILE 154 N 0.95 0.07 0.20 2.92 -1.09 1.05 -1.34 121.20 123.96 1xfu s ILE 154 Ca -0.03 -0.58 -0.03 0.00 -2.23 0.00 0.00 60.65 57.78 1xfu s ILE 154 Cb -0.15 -0.51 -0.04 0.00 -1.58 0.00 0.00 42.46 40.18 1xfu s ILE 154 CO -0.04 -0.32 0.17 0.54 -1.23 0.00 0.00 174.94 174.06 1xfu s ASN 155 N -1.34 0.14 0.05 3.58 4.22 -0.89 -0.20 114.94 120.50 1xfu s ASN 155 Ca -0.14 -1.30 -0.05 0.00 -2.14 0.00 0.00 52.86 49.23 1xfu s ASN 155 Cb -0.06 0.40 -0.01 0.00 1.28 0.00 0.00 41.25 42.85 1xfu s ASN 155 CO 0.03 -0.86 0.08 -0.63 -2.04 0.00 0.00 177.10 173.68 1xfu s ILE 156 N -4.13 0.15 0.00 0.54 1.09 -1.21 -4.86 121.20 112.78 1xfu s ILE 156 Ca 0.35 -1.22 0.00 0.00 -1.10 0.00 0.00 60.65 58.68 1xfu s ILE 156 Cb 0.06 -1.04 0.00 0.00 -1.06 0.00 0.00 42.46 40.42 1xfu s ILE 156 CO 0.10 -0.67 0.00 1.17 -0.10 0.00 0.00 174.94 175.44 1xfu n LYS 157 N 0.57 0.00 0.00 2.79 3.00 -1.26 -4.60 118.16 118.66 1xfu n LYS 157 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1xfu n LYS 157 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1xfu n LYS 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfu n ASP 158 N -0.82 0.39 0.39 3.14 9.92 -1.26 -4.98 116.55 123.34 1xfu n ASP 158 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 1xfu n ASP 158 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1xfu n ASP 158 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1xfu h TYR 159 N 0.00 -1.10 -3.11 1.24 -1.99 -1.99 -3.48 116.97 106.54 1xfu h TYR 159 Ca 0.00 -0.01 -0.57 0.00 2.00 0.00 0.00 58.73 60.14 1xfu h TYR 159 Cb 0.00 0.39 -0.05 0.00 2.00 0.00 0.00 36.73 39.07 1xfu h TYR 159 CO 0.00 -0.64 0.75 0.00 -0.00 0.00 0.00 178.16 178.27 1xfu s ALA 160 N -5.99 3.61 0.00 3.88 0.00 -1.26 -4.86 121.76 117.14 1xfu s ALA 160 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1xfu s ALA 160 Cb 0.03 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1xfu s ALA 160 CO 0.61 -0.95 0.00 -0.89 0.00 0.00 0.00 175.76 174.54 1xfu n ILE 161 N 5.12 0.00 0.07 0.00 5.41 -1.26 -4.88 119.36 123.83 1xfu n ILE 161 Ca 0.11 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.74 1xfu n ILE 161 Cb 0.47 -0.45 -0.08 0.00 -0.71 0.00 0.00 39.64 38.86 1xfu n ILE 161 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1xfu h ASN 162 N 0.00 -0.19 0.00 4.38 2.35 -1.95 -3.13 115.58 117.05 1xfu h ASN 162 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1xfu h ASN 162 Cb 0.54 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1xfu h ASN 162 CO 0.00 0.24 0.00 -1.20 -1.65 0.00 0.00 177.43 174.82 1xfu n SER 163 N -5.00 0.00 -4.10 5.81 7.64 -1.26 -1.56 113.62 115.15 1xfu n SER 163 Ca -0.09 0.26 -0.36 0.00 1.01 0.00 0.00 58.87 59.70 1xfu n SER 163 Cb 0.25 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.32 1xfu n SER 163 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1xfu s GLU 164 N -1.58 3.26 0.00 1.43 2.12 -1.26 -4.89 118.70 117.79 1xfu s GLU 164 Ca 0.00 -3.31 0.00 0.00 0.36 0.00 0.00 54.97 52.02 1xfu s GLU 164 Cb 0.00 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.45 1xfu s GLU 164 CO 0.00 -1.27 0.63 1.04 -0.54 0.00 0.00 175.26 175.12 1xfu n GLN 165 N 2.27 0.00 0.06 4.30 6.02 -0.60 -2.41 117.38 127.01 1xfu n GLN 165 Ca 0.22 0.19 0.01 0.00 -0.01 0.00 0.00 57.00 57.41 1xfu n GLN 165 Cb 0.37 -1.65 0.07 0.00 1.02 0.00 0.00 30.24 30.05 1xfu n GLN 165 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xfu n SER 166 N -1.13 0.07 -0.05 1.08 2.88 -1.26 -0.81 113.62 114.40 1xfu n SER 166 Ca 0.00 0.25 -0.04 0.00 -1.33 0.00 0.00 58.87 57.76 1xfu n SER 166 Cb 0.15 -0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.40 1xfu n SER 166 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xfu n LYS 167 N -1.43 0.33 0.00 -1.46 2.85 -1.01 -4.26 118.16 113.17 1xfu n LYS 167 Ca -0.00 0.42 0.00 0.00 -1.05 0.00 0.00 58.31 57.68 1xfu n LYS 167 Cb 0.40 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1xfu n LYS 167 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1xfu n GLU 168 N -3.94 0.00 0.17 -1.58 2.13 0.01 -0.85 120.64 116.58 1xfu n GLU 168 Ca -0.05 0.48 0.05 0.00 0.66 0.00 0.00 57.16 58.29 1xfu n GLU 168 Cb 0.20 -1.50 0.25 0.00 0.27 0.00 0.00 31.44 30.67 1xfu n GLU 168 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1xfu h VAL 169 N 0.00 0.89 0.00 6.31 3.04 -1.40 -2.82 116.25 122.26 1xfu h VAL 169 Ca 0.00 -1.73 -0.06 0.00 -1.01 0.00 0.00 66.70 63.90 1xfu h VAL 169 Cb 0.00 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 1xfu h VAL 169 CO 0.00 0.41 -0.30 1.88 -1.01 0.00 0.00 177.57 178.55 1xfu h TYR 170 N 0.00 0.00 0.00 3.17 -1.99 -1.20 -1.83 116.97 115.12 1xfu h TYR 170 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xfu h TYR 170 Cb 1.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.76 1xfu h TYR 170 CO 0.00 0.30 0.00 0.98 -0.00 0.00 0.00 178.16 179.44 1xfu n TYR 171 N -3.27 0.24 -0.13 4.88 9.36 -1.06 0.23 117.16 127.40 1xfu n TYR 171 Ca 0.01 0.10 -0.26 0.00 3.32 0.00 0.00 57.90 61.07 1xfu n TYR 171 Cb 0.56 -0.66 -0.09 0.00 -0.63 0.00 0.00 39.34 38.52 1xfu n TYR 171 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1xfu n GLU 172 N -1.72 0.58 0.04 2.98 4.71 -0.75 -3.45 120.64 123.03 1xfu n GLU 172 Ca 0.03 0.31 -0.11 0.00 -0.01 0.00 0.00 57.16 57.37 1xfu n GLU 172 Cb 0.16 -1.53 -0.08 0.00 -1.01 0.00 0.00 31.44 28.98 1xfu n GLU 172 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1xfu h ILE 173 N -1.00 0.96 -1.16 -3.67 2.10 -1.32 3.12 117.51 116.55 1xfu h ILE 173 Ca -0.57 -1.19 0.34 0.00 1.08 0.00 0.00 64.86 64.52 1xfu h ILE 173 Cb 1.48 1.61 -0.05 0.00 -1.09 0.00 0.00 36.82 38.78 1xfu h ILE 173 CO -0.34 0.25 1.06 1.23 -1.08 0.00 0.00 178.15 179.26 1xfu h GLY 174 N -0.82 0.00 0.00 8.18 0.00 0.27 0.83 103.07 111.53 1xfu h GLY 174 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1xfu h GLY 174 CO 0.03 0.00 -0.08 1.70 0.00 0.00 0.00 176.54 178.19 1xfu h LYS 175 N 0.00 0.00 0.00 4.80 3.64 -1.44 -3.40 116.57 120.17 1xfu h LYS 175 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1xfu h LYS 175 Cb 2.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.48 1xfu h LYS 175 CO -0.01 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.58 1xfu n GLY 176 N 1.80 0.00 0.00 5.01 0.00 1.04 0.25 105.19 113.29 1xfu n GLY 176 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xfu n GLY 176 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xfu n ILE 177 N -3.22 0.00 0.00 -0.61 -5.35 -0.57 -1.79 119.36 107.83 1xfu n ILE 177 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1xfu n ILE 177 Cb 0.00 -0.88 0.00 0.00 -1.74 0.00 0.00 39.64 37.02 1xfu n ILE 177 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1xfu n SER 178 N -0.85 0.00 0.24 7.28 3.41 0.70 -4.66 113.62 119.74 1xfu n SER 178 Ca 0.00 0.14 -0.15 0.00 -0.26 0.00 0.00 58.87 58.60 1xfu n SER 178 Cb 0.00 -0.31 -0.08 0.00 -0.26 0.00 0.00 64.21 63.56 1xfu n SER 178 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1xfu h LEU 179 N 0.00 -0.52 0.00 1.04 -0.00 -1.72 -3.40 115.31 110.72 1xfu h LEU 179 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1xfu h LEU 179 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1xfu h LEU 179 CO 0.00 -0.21 0.00 -0.90 -0.00 0.00 0.00 178.44 177.33 1xfu n ASP 180 N -5.27 0.00 0.11 0.17 5.75 -0.74 0.40 116.55 116.98 1xfu n ASP 180 Ca -0.11 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.72 1xfu n ASP 180 Cb 0.30 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.63 1xfu n ASP 180 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xfu n ILE 181 N -0.35 0.79 0.04 2.12 3.06 -1.26 0.33 119.36 124.09 1xfu n ILE 181 Ca 0.00 0.67 0.02 0.00 -2.50 0.00 0.00 62.75 60.94 1xfu n ILE 181 Cb 0.00 -1.67 0.03 0.00 0.54 0.00 0.00 39.64 38.55 1xfu n ILE 181 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1xfu n ILE 182 N -1.82 0.55 -2.74 9.51 0.00 0.16 -3.60 119.36 121.43 1xfu n ILE 182 Ca -0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 62.75 61.85 1xfu n ILE 182 Cb 0.28 0.76 0.05 0.00 0.00 0.00 0.00 39.64 40.73 1xfu n ILE 182 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1xfu n SER 183 N -0.01 0.96 -0.17 9.51 2.88 1.00 -4.37 113.62 123.43 1xfu n SER 183 Ca 0.03 -1.74 0.29 0.00 -1.33 0.00 0.00 58.87 56.12 1xfu n SER 183 Cb 0.21 -0.29 0.64 0.00 -0.75 0.00 0.00 64.21 64.02 1xfu n SER 183 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1xfu h LYS 184 N 0.00 0.00 -0.15 -1.46 1.63 -1.90 -0.63 116.57 114.06 1xfu h LYS 184 Ca -0.16 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1xfu h LYS 184 Cb 0.68 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 1xfu h LYS 184 CO 0.20 0.00 0.11 0.22 -3.45 0.00 0.00 179.45 176.53 1xfu h ASP 185 N 0.00 0.01 0.00 4.20 -0.00 -1.86 -3.36 116.42 115.40 1xfu h ASP 185 Ca 0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.47 1xfu h ASP 185 Cb 2.21 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.53 1xfu h ASP 185 CO -0.00 0.01 0.00 1.17 -0.00 0.00 0.00 179.24 180.41 1xfu n LYS 186 N -4.50 1.67 0.00 0.28 4.81 -0.36 -3.43 118.16 116.63 1xfu n LYS 186 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xfu n LYS 186 Cb 0.22 -0.14 0.00 0.00 0.02 0.00 0.00 35.03 35.13 1xfu n LYS 186 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1xfu n SER 187 N 0.00 0.00 -3.88 3.14 2.88 -0.50 -3.68 113.62 111.58 1xfu n SER 187 Ca 0.00 0.02 -0.25 0.00 -1.33 0.00 0.00 58.87 57.31 1xfu n SER 187 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 1xfu n SER 187 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xfu n LEU 188 N -0.04 -1.86 0.00 2.46 -0.00 -1.26 -4.80 117.00 111.50 1xfu n LEU 188 Ca 0.00 -0.26 -0.18 0.00 -0.00 0.00 0.00 56.01 55.57 1xfu n LEU 188 Cb 0.00 -0.81 0.14 0.00 -0.00 0.00 0.00 43.42 42.74 1xfu n LEU 188 CO 0.00 -3.12 0.45 0.47 -0.00 0.00 0.00 177.39 175.19 1xfu n ASP 189 N -1.03 -0.74 -2.56 1.45 8.00 -1.24 -4.62 116.55 115.81 1xfu n ASP 189 Ca 0.03 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1xfu n ASP 189 Cb 0.49 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1xfu n ASP 189 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1xfu n PRO 190 N -3.07 0.00 -0.74 -0.24 -0.02 -1.22 -4.27 135.00 125.44 1xfu n PRO 190 Ca 0.10 -0.04 -0.26 0.00 -2.02 0.00 0.00 63.50 61.27 1xfu n PRO 190 Cb 0.35 -1.51 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 1xfu n PRO 190 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xfu n GLU 191 N 3.10 0.00 -0.31 -0.52 -0.58 -1.26 -2.65 120.64 118.42 1xfu n GLU 191 Ca 0.00 0.00 0.25 0.00 -0.42 0.00 0.00 57.16 56.99 1xfu n GLU 191 Cb 0.00 -0.60 0.41 0.00 -0.57 0.00 0.00 31.44 30.69 1xfu n GLU 191 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1xfu n PHE 192 N 0.25 0.30 -0.09 -0.32 3.01 -1.26 0.78 117.46 120.13 1xfu n PHE 192 Ca 0.10 0.30 -0.07 0.00 1.01 0.00 0.00 57.45 58.78 1xfu n PHE 192 Cb 0.10 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 38.90 1xfu n PHE 192 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1xfu h LEU 193 N 0.00 -0.89 0.00 4.37 3.38 -1.96 0.92 115.31 121.14 1xfu h LEU 193 Ca 0.52 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.65 1xfu h LEU 193 Cb 1.78 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.95 1xfu h LEU 193 CO -0.20 -0.29 -0.94 -3.20 0.09 0.00 0.00 178.44 173.90 1xfu n ASN 194 N -5.40 0.63 0.16 -0.43 2.85 0.23 -2.30 115.26 111.00 1xfu n ASN 194 Ca 0.00 -0.22 0.01 0.00 -0.11 0.00 0.00 54.58 54.27 1xfu n ASN 194 Cb 0.31 0.69 0.23 0.00 1.24 0.00 0.00 39.78 42.26 1xfu n ASN 194 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1xfu h LEU 195 N 0.00 0.00 0.08 1.20 5.85 0.01 -2.42 115.31 120.03 1xfu h LEU 195 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 1xfu h LEU 195 Cb 0.70 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1xfu h LEU 195 CO 0.00 0.53 -2.17 -0.38 -0.34 0.00 0.00 178.44 176.08 1xfu n ILE 196 N -3.68 1.67 0.25 4.05 5.41 0.31 -3.45 119.36 123.92 1xfu n ILE 196 Ca -0.01 -0.63 0.17 0.00 1.00 0.00 0.00 62.75 63.28 1xfu n ILE 196 Cb 0.58 -1.58 0.90 0.00 -0.71 0.00 0.00 39.64 38.83 1xfu n ILE 196 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1xfu h LYS 197 N 0.04 0.00 -0.18 0.38 1.79 -1.49 1.13 116.57 118.25 1xfu h LYS 197 Ca -0.48 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.79 1xfu h LYS 197 Cb 1.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 1xfu h LYS 197 CO 0.02 0.00 -0.70 1.03 -1.08 0.00 0.00 179.45 178.73 1xfu h SER 198 N 0.00 0.86 -0.16 0.86 0.87 -1.54 -3.05 113.55 111.39 1xfu h SER 198 Ca 0.05 -0.53 0.05 0.00 -1.23 0.00 0.00 61.79 60.13 1xfu h SER 198 Cb 0.33 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1xfu h SER 198 CO -0.00 1.31 0.13 -0.07 -0.53 0.00 0.00 176.83 177.67 1xfu h LEU 199 N 0.53 0.00 -3.72 2.23 3.38 0.13 -3.17 115.31 114.69 1xfu h LEU 199 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xfu h LEU 199 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1xfu h LEU 199 CO 0.14 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.43 1xfu n SER 200 N -4.29 0.50 -0.03 -0.43 2.88 -0.88 -3.38 113.62 107.99 1xfu n SER 200 Ca 0.01 -1.05 -0.08 0.00 -1.33 0.00 0.00 58.87 56.43 1xfu n SER 200 Cb 0.25 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.54 1xfu n SER 200 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1xfu h ASP 201 N 3.52 -0.05 0.00 -3.46 3.58 -1.82 -3.46 116.42 114.73 1xfu h ASP 201 Ca 0.00 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1xfu h ASP 201 Cb 0.10 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1xfu h ASP 201 CO 0.00 0.65 0.00 -0.90 -2.88 0.00 0.00 179.24 176.11 1xfu n ASP 202 N -4.76 0.00 -0.03 2.28 5.68 -1.22 -4.43 116.55 114.07 1xfu n ASP 202 Ca -0.05 -0.90 -0.22 0.00 -0.50 0.00 0.00 54.79 53.12 1xfu n ASP 202 Cb 0.24 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.09 1xfu n ASP 202 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1xfu h SER 203 N 0.00 0.26 0.00 -1.12 4.64 -1.89 -3.46 113.55 111.98 1xfu h SER 203 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1xfu h SER 203 Cb 0.73 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1xfu h SER 203 CO 0.00 1.66 0.00 0.47 -0.87 0.00 0.00 176.83 178.09 1xfu n ASP 204 N -3.94 0.00 -4.84 4.97 8.00 -1.26 -4.95 116.55 114.54 1xfu n ASP 204 Ca -0.30 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.88 1xfu n ASP 204 Cb 0.88 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.97 1xfu n ASP 204 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xfu s SER 205 N -1.54 6.30 0.00 -2.24 0.15 -1.26 -4.90 113.70 110.21 1xfu s SER 205 Ca 0.00 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.25 1xfu s SER 205 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1xfu s SER 205 CO 0.00 -0.81 0.19 -1.20 1.20 0.00 0.00 173.24 172.62 1xfu n SER 206 N -1.96 0.48 -4.18 5.45 7.64 -1.26 -4.37 113.62 115.42 1xfu n SER 206 Ca 0.07 -0.58 -0.39 0.00 1.01 0.00 0.00 58.87 58.98 1xfu n SER 206 Cb 0.54 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 1xfu n SER 206 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xfu s ASP 207 N -0.16 6.33 -0.44 6.43 1.01 -1.26 -4.86 116.67 123.72 1xfu s ASP 207 Ca 0.00 -3.56 -0.02 0.00 0.71 0.00 0.00 52.55 49.68 1xfu s ASP 207 Cb 0.00 -2.00 0.22 0.00 1.01 0.00 0.00 42.92 42.15 1xfu s ASP 207 CO 0.00 -0.25 2.23 0.18 0.21 0.00 0.00 175.17 177.54 1xfu n LEU 208 N 2.61 6.74 -4.14 1.23 4.32 -1.26 -4.77 117.00 121.73 1xfu n LEU 208 Ca 0.21 -3.76 -0.38 0.00 -0.02 0.00 0.00 56.01 52.06 1xfu n LEU 208 Cb 0.38 -1.09 -0.09 0.00 -1.62 0.00 0.00 43.42 41.00 1xfu n LEU 208 CO 0.39 1.43 0.07 -0.22 -1.22 0.00 0.00 177.39 177.84 1xfu s LEU 209 N -2.37 5.50 0.00 2.23 2.96 -1.26 -4.78 118.68 120.95 1xfu s LEU 209 Ca 0.45 -2.67 0.17 0.00 -0.22 0.00 0.00 54.13 51.87 1xfu s LEU 209 Cb 0.34 -1.92 0.28 0.00 0.50 0.00 0.00 46.19 45.39 1xfu s LEU 209 CO -0.09 -0.44 1.10 2.22 -1.32 0.00 0.00 176.35 177.82 1xfu n PHE 210 N 3.79 0.00 0.69 5.38 1.16 -1.26 -4.36 117.46 122.86 1xfu n PHE 210 Ca 0.06 -0.35 0.00 0.00 -1.87 0.00 0.00 57.45 55.30 1xfu n PHE 210 Cb 0.40 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.18 1xfu n PHE 210 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1xfu n SER 211 N 0.33 2.00 -0.06 5.98 2.88 -1.26 -2.06 113.62 121.42 1xfu n SER 211 Ca 0.03 -1.37 -0.10 0.00 -1.33 0.00 0.00 58.87 56.10 1xfu n SER 211 Cb 0.99 -0.34 -0.05 0.00 -0.75 0.00 0.00 64.21 64.05 1xfu n SER 211 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xfu n GLN 212 N 0.63 0.30 0.00 -1.46 10.64 -1.26 -4.82 117.38 121.42 1xfu n GLN 212 Ca 0.00 0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1xfu n GLN 212 Cb 0.34 -1.19 0.00 0.00 -0.86 0.00 0.00 30.24 28.52 1xfu n GLN 212 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1xfu n LYS 213 N -3.00 -0.74 -2.57 2.61 2.85 -0.87 -4.71 118.16 111.73 1xfu n LYS 213 Ca -0.22 -0.50 -0.22 0.00 -1.05 0.00 0.00 58.31 56.32 1xfu n LYS 213 Cb 0.72 -0.99 0.01 0.00 -0.65 0.00 0.00 35.03 34.12 1xfu n LYS 213 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1xfu n PHE 214 N -0.02 2.74 -0.05 5.58 0.99 -0.96 -4.81 117.46 120.93 1xfu n PHE 214 Ca 0.00 -3.08 -0.00 0.00 -0.00 0.00 0.00 57.45 54.36 1xfu n PHE 214 Cb 0.00 -0.19 -0.00 0.00 -1.00 0.00 0.00 39.48 38.29 1xfu n PHE 214 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1xfu h LYS 215 N 2.73 0.00 0.00 -1.08 1.63 -1.81 -3.27 116.57 114.76 1xfu h LYS 215 Ca 0.17 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1xfu h LYS 215 Cb 0.97 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1xfu h LYS 215 CO 0.74 0.00 -0.74 -0.85 -3.45 0.00 0.00 179.45 175.15 1xfu n GLU 216 N -4.64 0.48 0.22 1.90 0.28 -1.26 -3.99 120.64 113.63 1xfu n GLU 216 Ca -0.01 0.42 0.15 0.00 -0.16 0.00 0.00 57.16 57.57 1xfu n GLU 216 Cb 0.02 -1.61 0.72 0.00 1.43 0.00 0.00 31.44 32.00 1xfu n GLU 216 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1xfu h LYS 217 N -1.00 0.00 -1.35 3.44 1.79 -1.89 -3.33 116.57 114.23 1xfu h LYS 217 Ca -0.03 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.03 1xfu h LYS 217 Cb 0.72 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.05 1xfu h LYS 217 CO -0.02 0.00 -0.94 -0.11 -1.08 0.00 0.00 179.45 177.30 1xfu n LEU 218 N -2.63 -0.36 -1.23 2.94 7.94 -1.26 -4.74 117.00 117.66 1xfu n LEU 218 Ca -0.00 -4.50 0.09 0.00 -1.11 0.00 0.00 56.01 50.49 1xfu n LEU 218 Cb 0.17 0.77 0.29 0.00 0.53 0.00 0.00 43.42 45.18 1xfu n LEU 218 CO 0.19 2.18 0.75 -1.84 -1.11 0.00 0.00 177.39 177.56 1xfu n GLU 219 N 0.61 3.16 -2.02 1.96 0.28 -1.23 -4.54 120.64 118.86 1xfu n GLU 219 Ca 0.18 -2.62 -0.42 0.00 -0.16 0.00 0.00 57.16 54.15 1xfu n GLU 219 Cb 0.64 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1xfu n GLU 219 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1xfu n LEU 220 N 1.00 6.90 0.19 -1.84 7.94 -1.26 -4.64 117.00 125.29 1xfu n LEU 220 Ca 0.22 -4.43 0.08 0.00 -1.11 0.00 0.00 56.01 50.76 1xfu n LEU 220 Cb 0.70 -1.55 0.29 0.00 0.53 0.00 0.00 43.42 43.38 1xfu n LEU 220 CO 0.17 1.32 0.69 0.78 -1.11 0.00 0.00 177.39 179.25 1xfu h ASN 221 N 5.77 0.00 -1.31 1.96 2.35 -1.99 -3.32 115.58 119.04 1xfu h ASN 221 Ca 0.50 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.59 1xfu h ASN 221 Cb 0.61 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.80 1xfu h ASN 221 CO 1.74 0.29 1.35 0.59 -1.65 0.00 0.00 177.43 179.76 1xfu n ASN 222 N -3.30 7.32 -2.90 5.81 3.02 -1.26 -4.61 115.26 119.33 1xfu n ASN 222 Ca 0.01 -3.29 0.03 0.00 -0.03 0.00 0.00 54.58 51.30 1xfu n ASN 222 Cb 0.54 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 1xfu n ASN 222 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xfu s LYS 223 N -1.98 0.18 0.09 3.52 2.36 -1.25 -5.14 119.74 117.52 1xfu s LYS 223 Ca 0.54 -0.00 -0.30 0.00 -2.55 0.00 0.00 55.97 53.66 1xfu s LYS 223 Cb 0.29 0.04 -0.16 0.00 -1.05 0.00 0.00 37.83 36.94 1xfu s LYS 223 CO -0.18 -0.28 0.70 0.43 1.55 0.00 0.00 175.35 177.57 1xfu n SER 224 N 4.16 -0.59 -4.15 1.43 7.64 -1.26 -4.90 113.62 115.94 1xfu n SER 224 Ca 0.07 1.02 -0.38 0.00 1.01 0.00 0.00 58.87 60.59 1xfu n SER 224 Cb 0.61 -0.84 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 1xfu n SER 224 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xfu s ILE 225 N -0.47 4.67 0.00 0.44 1.01 -1.26 -4.79 121.20 120.80 1xfu s ILE 225 Ca 0.69 -3.77 0.00 0.00 0.00 0.00 0.00 60.65 57.57 1xfu s ILE 225 Cb -0.98 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 37.62 1xfu s ILE 225 CO 0.51 -1.10 0.00 -0.67 0.00 0.00 0.00 174.94 173.67 1xfu n ASP 226 N 2.42 0.00 0.00 3.58 4.64 -1.26 -4.04 116.55 121.90 1xfu n ASP 226 Ca 0.22 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.63 1xfu n ASP 226 Cb 0.37 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.45 1xfu n ASP 226 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1xfu n ILE 227 N -0.69 0.00 -0.35 5.18 5.41 -1.26 -4.53 119.36 123.13 1xfu n ILE 227 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1xfu n ILE 227 Cb 0.00 -0.54 0.04 0.00 -0.71 0.00 0.00 39.64 38.42 1xfu n ILE 227 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1xfu n ASN 228 N -1.44 -0.59 0.00 4.38 4.13 -1.26 -3.74 115.26 116.75 1xfu n ASN 228 Ca 0.00 1.57 0.00 0.00 1.68 0.00 0.00 54.58 57.83 1xfu n ASN 228 Cb 0.29 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 1xfu n ASN 228 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1xfu n PHE 229 N -5.33 0.00 0.19 3.10 1.16 -1.26 -4.82 117.46 110.50 1xfu n PHE 229 Ca 0.09 -0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.75 1xfu n PHE 229 Cb 0.36 -0.00 0.60 0.00 -1.61 0.00 0.00 39.48 38.83 1xfu n PHE 229 CO 0.00 0.00 0.00 0.97 -1.87 0.00 0.00 176.76 175.86 1xfu h ILE 230 N 0.44 1.00 0.55 1.97 2.10 -1.80 -2.56 117.51 119.21 1xfu h ILE 230 Ca 0.00 -0.04 -0.02 0.00 1.08 0.00 0.00 64.86 65.89 1xfu h ILE 230 Cb 0.22 0.88 -0.02 0.00 -1.09 0.00 0.00 36.82 36.81 1xfu h ILE 230 CO 0.00 0.02 -0.49 0.11 -1.08 0.00 0.00 178.15 176.71 1xfu h LYS 231 N 0.11 -0.99 0.00 2.19 1.57 -1.88 -3.28 116.57 114.29 1xfu h LYS 231 Ca 0.05 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1xfu h LYS 231 Cb 0.07 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1xfu h LYS 231 CO -0.01 -0.66 0.00 -1.91 -0.57 0.00 0.00 179.45 176.30 1xfu n GLU 232 N -5.46 0.00 -2.90 3.15 4.07 -0.96 -1.64 120.64 116.90 1xfu n GLU 232 Ca -0.12 0.01 -0.35 0.00 -0.06 0.00 0.00 57.16 56.64 1xfu n GLU 232 Cb 0.46 -0.02 -0.01 0.00 -0.06 0.00 0.00 31.44 31.81 1xfu n GLU 232 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1xfu n ASN 233 N -1.79 5.82 -0.25 4.31 3.02 -1.24 -4.81 115.26 120.33 1xfu n ASN 233 Ca 0.00 -3.61 0.14 0.00 -0.03 0.00 0.00 54.58 51.08 1xfu n ASN 233 Cb 0.00 -0.92 0.43 0.00 -0.61 0.00 0.00 39.78 38.68 1xfu n ASN 233 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1xfu h LEU 234 N 4.00 0.55 -1.50 3.41 -0.00 -1.38 0.58 115.31 120.97 1xfu h LEU 234 Ca 0.31 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 58.18 1xfu h LEU 234 Cb 0.47 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 1xfu h LEU 234 CO 1.04 0.26 -0.16 0.71 -0.00 0.00 0.00 178.44 180.30 1xfu h THR 235 N 0.57 1.16 -0.35 0.15 1.35 -1.87 -2.56 112.91 111.36 1xfu h THR 235 Ca 0.44 -0.72 -0.15 0.00 -0.55 0.00 0.00 66.41 65.43 1xfu h THR 235 Cb 0.86 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1xfu h THR 235 CO -0.19 0.22 -0.37 -0.08 -0.25 0.00 0.00 175.52 174.85 1xfu h GLU 236 N 0.12 0.83 -0.13 4.72 4.81 -1.28 -1.29 114.58 122.36 1xfu h GLU 236 Ca 0.02 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1xfu h GLU 236 Cb 0.36 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1xfu h GLU 236 CO 0.02 1.06 0.00 1.19 -0.73 0.00 0.00 179.01 180.55 1xfu n PHE 237 N -4.05 0.00 -0.12 0.92 3.72 -0.98 -2.14 117.46 114.81 1xfu n PHE 237 Ca -0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.16 1xfu n PHE 237 Cb 0.53 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 1xfu n PHE 237 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xfu n GLN 238 N -0.42 0.53 0.00 -1.08 6.02 -0.56 -3.40 117.38 118.47 1xfu n GLN 238 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1xfu n GLN 238 Cb 0.03 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1xfu n GLN 238 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1xfu n HIS 239 N -4.24 0.00 -0.12 1.08 8.25 -0.75 -0.63 115.22 118.81 1xfu n HIS 239 Ca -0.40 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.86 1xfu n HIS 239 Cb 0.75 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 31.54 1xfu n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xfu n ALA 240 N -1.24 1.05 0.27 -1.41 0.00 -1.15 -3.64 120.51 114.38 1xfu n ALA 240 Ca 0.00 -0.97 0.17 0.00 0.00 0.00 0.00 53.44 52.64 1xfu n ALA 240 Cb 0.25 0.08 0.93 0.00 0.00 0.00 0.00 19.45 20.71 1xfu n ALA 240 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xfu h PHE 241 N -1.00 0.00 0.00 0.00 3.57 -0.89 0.15 116.94 118.77 1xfu h PHE 241 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1xfu h PHE 241 Cb 1.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1xfu h PHE 241 CO -0.23 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.28 1xfu n SER 242 N -2.72 0.00 0.22 0.41 7.64 0.05 -1.80 113.62 117.41 1xfu n SER 242 Ca -0.02 0.42 0.13 0.00 1.01 0.00 0.00 58.87 60.40 1xfu n SER 242 Cb 0.10 -0.26 0.68 0.00 -1.01 0.00 0.00 64.21 63.72 1xfu n SER 242 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xfu h LEU 243 N 0.00 0.00 -0.01 -3.43 3.38 -1.58 0.53 115.31 114.19 1xfu h LEU 243 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xfu h LEU 243 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xfu h LEU 243 CO 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.30 1xfu h ALA 244 N 1.73 0.05 -0.03 1.53 0.00 -0.78 -1.65 119.26 120.10 1xfu h ALA 244 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xfu h ALA 244 Cb 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xfu h ALA 244 CO 0.00 0.07 0.01 0.35 0.00 0.00 0.00 179.25 179.68 1xfu h PHE 245 N -0.46 0.06 -0.67 0.00 3.04 0.45 -1.47 116.94 117.89 1xfu h PHE 245 Ca -0.02 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.02 1xfu h PHE 245 Cb 0.95 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.41 1xfu h PHE 245 CO 0.17 0.30 0.44 0.66 -2.02 0.00 0.00 178.31 177.86 1xfu h SER 246 N -0.20 0.44 0.97 0.41 4.64 -0.23 -1.01 113.55 118.57 1xfu h SER 246 Ca 0.01 0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.13 1xfu h SER 246 Cb 0.27 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1xfu h SER 246 CO 0.00 0.26 -1.06 1.88 -0.87 0.00 0.00 176.83 177.04 1xfu h TYR 247 N 0.49 0.00 0.00 4.77 -1.99 -1.13 0.29 116.97 119.40 1xfu h TYR 247 Ca 0.31 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.95 1xfu h TYR 247 Cb 0.56 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1xfu h TYR 247 CO -0.00 0.92 -0.44 -0.92 -0.00 0.00 0.00 178.16 177.72 1xfu h TYR 248 N 0.00 0.00 0.00 4.88 3.20 -0.19 -3.29 116.97 121.57 1xfu h TYR 248 Ca -0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1xfu h TYR 248 Cb 1.75 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.02 1xfu h TYR 248 CO 0.00 0.44 -0.76 1.19 -1.64 0.00 0.00 178.16 177.39 1xfu n PHE 249 N -3.24 0.00 -1.45 -3.82 3.01 -0.49 -4.86 117.46 106.61 1xfu n PHE 249 Ca 0.02 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.09 1xfu n PHE 249 Cb 0.69 -0.07 0.03 0.00 -0.01 0.00 0.00 39.48 40.12 1xfu n PHE 249 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xfu n ALA 250 N -1.42 -1.30 0.80 4.37 0.00 0.10 -4.81 120.51 118.25 1xfu n ALA 250 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1xfu n ALA 250 Cb 0.14 -1.79 0.47 0.00 0.00 0.00 0.00 19.45 18.26 1xfu n ALA 250 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xfu n PRO 251 N 0.15 0.11 0.01 0.00 -0.04 -1.26 -4.35 135.00 129.62 1xfu n PRO 251 Ca 0.11 0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1xfu n PRO 251 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1xfu n PRO 251 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xfu n ASP 252 N -1.42 0.92 -4.42 3.54 5.75 -1.26 -4.96 116.55 114.70 1xfu n ASP 252 Ca 0.07 0.13 -0.44 0.00 -0.01 0.00 0.00 54.79 54.54 1xfu n ASP 252 Cb 0.21 -0.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 1xfu n ASP 252 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1xfu s HIS 253 N -1.86 3.00 -0.17 2.11 -3.43 -1.26 -4.75 115.29 108.93 1xfu s HIS 253 Ca -0.05 -1.06 0.02 0.00 -0.80 0.00 0.00 55.06 53.17 1xfu s HIS 253 Cb 0.01 -4.17 -0.11 0.00 -1.43 0.00 0.00 32.58 26.87 1xfu s HIS 253 CO 0.08 -1.44 -0.15 2.89 -2.00 0.00 0.00 174.74 174.12 1xfu n ARG 254 N 6.64 0.47 0.14 -0.38 0.00 -1.24 -4.40 116.66 117.89 1xfu n ARG 254 Ca 0.05 0.10 0.12 0.00 -0.00 0.00 0.00 57.85 58.11 1xfu n ARG 254 Cb 0.46 -1.34 0.17 0.00 -0.00 0.00 0.00 32.46 31.74 1xfu n ARG 254 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1xfu h THR 255 N 0.00 0.00 0.00 8.89 1.35 -1.85 -3.16 112.91 118.14 1xfu h THR 255 Ca -0.38 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1xfu h THR 255 Cb 1.60 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1xfu h THR 255 CO -0.06 0.00 0.00 0.58 -0.25 0.00 0.00 175.52 175.79 1xfu h VAL 256 N 0.00 0.00 -0.36 6.82 2.07 -1.90 0.97 116.25 123.86 1xfu h VAL 256 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xfu h VAL 256 Cb 0.91 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1xfu h VAL 256 CO 0.00 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.48 1xfu n LEU 257 N -2.43 3.60 0.00 2.57 7.94 -1.19 -3.09 117.00 124.40 1xfu n LEU 257 Ca -0.01 -2.48 0.00 0.00 -1.11 0.00 0.00 56.01 52.40 1xfu n LEU 257 Cb 0.07 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1xfu n LEU 257 CO 0.13 0.72 0.10 1.21 -1.11 0.00 0.00 177.39 178.44 1xfu n GLU 258 N 0.19 2.79 0.01 1.96 2.13 0.31 -3.51 120.64 124.51 1xfu n GLU 258 Ca 0.18 -0.20 -0.01 0.00 0.66 0.00 0.00 57.16 57.79 1xfu n GLU 258 Cb 0.69 -0.66 -0.00 0.00 0.27 0.00 0.00 31.44 31.74 1xfu n GLU 258 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1xfu n LEU 259 N -0.45 0.38 0.23 4.31 7.94 0.14 -4.73 117.00 124.80 1xfu n LEU 259 Ca 0.00 0.05 0.16 0.00 -1.11 0.00 0.00 56.01 55.11 1xfu n LEU 259 Cb 0.02 -0.20 0.79 0.00 0.53 0.00 0.00 43.42 44.56 1xfu n LEU 259 CO 0.00 -0.54 0.97 1.88 -1.11 0.00 0.00 177.39 178.58 1xfu h TYR 260 N -0.06 0.00 -3.20 1.96 -1.99 -1.77 -3.36 116.97 108.55 1xfu h TYR 260 Ca 0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 1xfu h TYR 260 Cb 0.06 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.39 1xfu h TYR 260 CO -0.03 0.00 -0.76 0.00 -0.00 0.00 0.00 178.16 177.38 1xfu s ALA 261 N -3.72 0.67 0.06 3.88 0.00 -1.26 -4.40 121.76 116.99 1xfu s ALA 261 Ca -0.02 -0.37 0.19 0.00 0.00 0.00 0.00 51.96 51.76 1xfu s ALA 261 Cb 0.09 -1.00 0.56 0.00 0.00 0.00 0.00 23.12 22.78 1xfu s ALA 261 CO 0.33 -0.98 1.67 -1.00 0.00 0.00 0.00 175.76 175.78 1xfu h PRO 262 N 8.34 0.00 0.00 0.00 0.13 -1.85 -3.35 132.00 135.27 1xfu h PRO 262 Ca -0.16 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.78 1xfu h PRO 262 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1xfu h PRO 262 CO 0.29 0.37 -1.67 -3.47 -0.23 0.00 0.00 178.00 173.30 1xfu n ASP 263 N -3.41 1.60 -0.10 1.44 -0.08 -1.26 -4.60 116.55 110.15 1xfu n ASP 263 Ca 0.01 0.08 0.26 0.00 -1.51 0.00 0.00 54.79 53.63 1xfu n ASP 263 Cb 0.56 -0.30 0.65 0.00 2.34 0.00 0.00 41.12 44.37 1xfu n ASP 263 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1xfu h MET 264 N -0.29 0.00 0.19 -0.67 2.86 -1.88 1.44 114.93 116.58 1xfu h MET 264 Ca -0.29 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1xfu h MET 264 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1xfu h MET 264 CO -0.14 0.00 -0.09 0.35 1.06 0.00 0.00 176.91 178.09 1xfu h PHE 265 N 0.00 -0.23 -0.53 -0.22 3.57 -1.73 -0.50 116.94 117.29 1xfu h PHE 265 Ca 0.38 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.90 1xfu h PHE 265 Cb 1.98 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.76 1xfu h PHE 265 CO 0.00 -0.05 0.35 1.49 -2.23 0.00 0.00 178.31 177.87 1xfu h GLU 266 N -0.36 0.61 0.48 1.11 4.57 0.16 0.30 114.58 121.44 1xfu h GLU 266 Ca -0.03 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1xfu h GLU 266 Cb 0.28 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1xfu h GLU 266 CO 0.04 0.40 -0.23 -0.92 -1.18 0.00 0.00 179.01 177.13 1xfu h TYR 267 N 0.63 -0.59 -0.48 0.92 3.20 -0.43 0.66 116.97 120.87 1xfu h TYR 267 Ca 0.21 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1xfu h TYR 267 Cb 0.07 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1xfu h TYR 267 CO -0.00 -0.29 0.25 0.52 -1.64 0.00 0.00 178.16 177.00 1xfu h MET 268 N -0.82 0.48 0.19 1.82 2.86 -0.72 0.15 114.93 118.88 1xfu h MET 268 Ca -0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1xfu h MET 268 Cb 0.57 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1xfu h MET 268 CO 0.11 0.32 -0.16 -0.97 1.06 0.00 0.00 176.91 177.26 1xfu h ASN 269 N 0.49 -0.42 -0.99 1.22 -0.73 -0.25 0.82 115.58 115.71 1xfu h ASN 269 Ca 0.21 0.04 0.14 0.00 1.87 0.00 0.00 56.30 58.55 1xfu h ASN 269 Cb 0.10 0.14 -0.09 0.00 0.27 0.00 0.00 38.32 38.74 1xfu h ASN 269 CO -0.14 -0.25 0.62 0.50 -0.37 0.00 0.00 177.43 177.79 1xfu h LYS 270 N -0.37 0.89 0.07 6.67 1.63 0.73 1.53 116.57 127.72 1xfu h LYS 270 Ca -0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1xfu h LYS 270 Cb 0.34 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1xfu h LYS 270 CO -0.02 0.59 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.47 1xfu h LEU 271 N 0.92 -0.08 -1.18 5.20 3.38 0.12 -1.12 115.31 122.55 1xfu h LEU 271 Ca 0.51 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.42 1xfu h LEU 271 Cb 0.59 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1xfu h LEU 271 CO -0.30 -0.05 -0.03 -0.08 0.09 0.00 0.00 178.44 178.08 1xfu h GLU 272 N -0.11 0.53 -0.85 1.13 4.81 0.25 0.70 114.58 121.04 1xfu h GLU 272 Ca -0.01 -0.12 0.21 0.00 -0.13 0.00 0.00 59.36 59.30 1xfu h GLU 272 Cb 0.08 -0.07 -0.15 0.00 0.63 0.00 0.00 28.75 29.24 1xfu h GLU 272 CO 0.02 0.58 -0.01 0.87 -0.73 0.00 0.00 179.01 179.74 1xfu h LYS 273 N 0.50 0.07 0.00 1.92 1.57 0.33 -3.41 116.57 117.55 1xfu h LYS 273 Ca 0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xfu h LYS 273 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1xfu h LYS 273 CO 0.02 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 1xfu n GLY 274 N -1.46 0.00 0.29 3.86 0.00 -0.92 -5.01 105.19 101.95 1xfu n GLY 274 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1xfu n GLY 274 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xfu h GLY 275 N 0.00 0.00 1.50 -0.02 0.00 0.67 -0.86 103.07 104.36 1xfu h GLY 275 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1xfu h GLY 275 CO 0.00 0.00 -0.90 0.74 0.00 0.00 0.00 176.54 176.38 1xfu h PHE 276 N 0.00 0.00 0.00 5.60 0.05 -1.35 -2.96 116.94 118.28 1xfu h PHE 276 Ca -0.00 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 1xfu h PHE 276 Cb 0.19 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.14 1xfu h PHE 276 CO 0.00 0.47 -0.09 1.49 -0.18 0.00 0.00 178.31 180.00 1xfu h GLU 277 N 0.00 0.00 0.00 1.51 4.81 -1.44 -3.02 114.58 116.45 1xfu h GLU 277 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xfu h GLU 277 Cb 1.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1xfu h GLU 277 CO 0.05 0.09 0.00 1.63 -0.73 0.00 0.00 179.01 180.05 1xfu n LYS 278 N -3.16 0.00 0.24 1.92 5.02 -0.76 -2.79 118.16 118.64 1xfu n LYS 278 Ca 0.02 0.02 0.15 0.00 -2.02 0.00 0.00 58.31 56.48 1xfu n LYS 278 Cb 0.47 -0.59 0.63 0.00 -0.02 0.00 0.00 35.03 35.52 1xfu n LYS 278 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xfu h ILE 279 N 0.00 0.08 0.00 -0.18 1.08 -1.71 1.40 117.51 118.18 1xfu h ILE 279 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1xfu h ILE 279 Cb 0.00 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1xfu h ILE 279 CO 0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.22 1xfu n SER 280 N -3.02 0.00 0.00 1.72 2.88 -1.14 -2.15 113.62 111.91 1xfu n SER 280 Ca 0.02 -1.37 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 1xfu n SER 280 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1xfu n SER 280 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xfu n GLU 281 N -0.70 1.98 0.00 -1.46 -0.58 0.47 -4.04 120.64 116.31 1xfu n GLU 281 Ca 0.08 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.98 1xfu n GLU 281 Cb 0.04 -0.73 0.88 0.00 -0.57 0.00 0.00 31.44 31.06 1xfu n GLU 281 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xfu n SER 282 N -1.15 0.08 -0.06 1.62 3.41 -0.84 -1.56 113.62 115.12 1xfu n SER 282 Ca 0.00 -0.84 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 1xfu n SER 282 Cb 0.21 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 1xfu n SER 282 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xfu n LEU 283 N -1.00 2.65 -0.30 1.04 4.32 -0.91 -3.80 117.00 118.99 1xfu n LEU 283 Ca 0.22 -0.03 -0.03 0.00 -0.02 0.00 0.00 56.01 56.14 1xfu n LEU 283 Cb 0.15 -0.39 0.08 0.00 -1.62 0.00 0.00 43.42 41.65 1xfu n LEU 283 CO 0.19 0.62 1.22 0.50 -1.22 0.00 0.00 177.39 178.70 1xfu h LYS 284 N -0.07 1.06 -0.11 3.23 1.63 -1.68 0.92 116.57 121.55 1xfu h LYS 284 Ca -0.26 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.45 1xfu h LYS 284 Cb 1.37 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1xfu h LYS 284 CO -0.06 0.70 -0.04 1.57 -3.45 0.00 0.00 179.45 178.18 1xfu h LYS 285 N 1.10 0.23 0.00 1.90 2.10 -1.52 -0.05 116.57 120.32 1xfu h LYS 285 Ca 0.31 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1xfu h LYS 285 Cb -0.09 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.23 1xfu h LYS 285 CO -0.08 0.54 0.00 -1.91 -2.00 0.00 0.00 179.45 176.00 1xfu n GLU 286 N -4.73 0.79 0.10 0.07 2.13 -0.90 -1.90 120.64 116.20 1xfu n GLU 286 Ca -0.06 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.56 1xfu n GLU 286 Cb 0.25 -1.10 -0.12 0.00 0.27 0.00 0.00 31.44 30.74 1xfu n GLU 286 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1xfu h GLY 287 N 4.59 0.58 0.00 8.31 0.00 0.29 -2.90 103.07 113.94 1xfu h GLY 287 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 47.33 46.09 1xfu h GLY 287 CO 0.00 1.09 -0.21 -0.39 0.00 0.00 0.00 176.54 177.03 1xfu h VAL 288 N 0.22 0.00 -0.24 4.60 -1.51 -1.28 -3.37 116.25 114.67 1xfu h VAL 288 Ca -0.17 -0.44 0.07 0.00 -1.23 0.00 0.00 66.70 64.93 1xfu h VAL 288 Cb 1.90 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1xfu h VAL 288 CO 0.22 0.00 0.92 -0.33 -1.23 0.00 0.00 177.57 177.16 1xfu h GLU 289 N -0.44 0.00 0.00 5.19 5.08 -1.59 -3.05 114.58 119.77 1xfu h GLU 289 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xfu h GLU 289 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xfu h GLU 289 CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18 1xfu n LYS 290 N -2.77 0.00 -1.93 2.33 4.81 -1.09 -4.58 118.16 114.92 1xfu n LYS 290 Ca 0.05 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.08 1xfu n LYS 290 Cb 1.00 -0.05 -0.03 0.00 0.02 0.00 0.00 35.03 35.98 1xfu n LYS 290 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xfu s ASP 291 N -1.15 5.48 0.00 3.14 3.68 -1.15 -4.82 116.67 121.85 1xfu s ASP 291 Ca 0.00 1.00 0.00 0.00 2.13 0.00 0.00 52.55 55.68 1xfu s ASP 291 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1xfu s ASP 291 CO 0.00 -2.09 0.00 0.54 0.13 0.00 0.00 175.17 173.75 1xfu n ARG 292 N 8.77 0.00 -3.78 4.34 5.12 -1.25 -4.73 116.66 125.13 1xfu n ARG 292 Ca 0.24 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.79 1xfu n ARG 292 Cb 0.49 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.67 1xfu n ARG 292 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1xfu s ILE 293 N -1.51 3.44 -0.13 0.55 -4.36 -1.26 -5.06 121.20 112.87 1xfu s ILE 293 Ca 0.00 -1.64 -0.41 0.00 -0.26 0.00 0.00 60.65 58.34 1xfu s ILE 293 Cb 0.00 -3.16 -0.19 0.00 1.25 0.00 0.00 42.46 40.37 1xfu s ILE 293 CO 0.00 -0.43 1.35 -0.67 0.24 0.00 0.00 174.94 175.42 1xfu n ASP 294 N 4.69 0.98 0.00 4.36 4.64 -1.26 -4.84 116.55 125.12 1xfu n ASP 294 Ca -0.08 1.15 0.00 0.00 -1.38 0.00 0.00 54.79 54.48 1xfu n ASP 294 Cb 0.43 -1.00 0.00 0.00 -1.04 0.00 0.00 41.12 39.50 1xfu n ASP 294 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1xfu n VAL 295 N 2.73 0.00 -2.45 5.18 0.24 -1.26 -4.71 118.33 118.06 1xfu n VAL 295 Ca 0.23 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.33 1xfu n VAL 295 Cb 0.08 0.65 0.02 0.00 -1.47 0.00 0.00 33.84 33.12 1xfu n VAL 295 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xfu n LEU 296 N 0.00 -1.27 0.00 1.34 -0.00 -1.26 -2.81 117.00 113.00 1xfu n LEU 296 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1xfu n LEU 296 Cb 0.44 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1xfu n LEU 296 CO 0.00 0.03 0.00 0.29 -0.00 0.00 0.00 177.39 177.71 1xfu n LYS 297 N -0.29 0.20 -1.43 1.47 5.02 -1.26 -3.73 118.16 118.14 1xfu n LYS 297 Ca -0.06 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.42 1xfu n LYS 297 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.32 1xfu n LYS 297 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfu n GLY 298 N 4.85 -2.15 0.00 0.72 0.00 -0.99 -3.37 105.19 104.26 1xfu n GLY 298 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1xfu n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xfu n GLU 299 N -4.21 0.00 0.20 1.61 2.13 -1.26 0.14 120.64 119.24 1xfu n GLU 299 Ca -0.01 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.90 1xfu n GLU 299 Cb 0.67 -1.48 0.16 0.00 0.27 0.00 0.00 31.44 31.06 1xfu n GLU 299 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xfu h LYS 300 N 0.00 0.00 0.00 5.31 1.57 -1.85 -3.29 116.57 118.31 1xfu h LYS 300 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1xfu h LYS 300 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1xfu h LYS 300 CO 0.00 0.15 -1.70 0.00 -0.57 0.00 0.00 179.45 177.33 1xfu n ALA 301 N -2.14 0.96 0.00 3.86 0.00 0.36 -4.18 120.51 119.37 1xfu n ALA 301 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1xfu n ALA 301 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1xfu n ALA 301 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xfu n LEU 302 N -4.38 0.00 -0.02 0.00 7.94 -1.17 0.17 117.00 119.55 1xfu n LEU 302 Ca -0.36 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.55 1xfu n LEU 302 Cb 0.69 -0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.51 1xfu n LEU 302 CO 0.11 -0.00 -0.68 0.29 -1.11 0.00 0.00 177.39 176.00 1xfu n LYS 303 N -0.66 0.65 -0.00 1.96 4.76 -1.24 -4.09 118.16 119.54 1xfu n LYS 303 Ca 0.00 0.03 0.10 0.00 -2.87 0.00 0.00 58.31 55.57 1xfu n LYS 303 Cb 0.00 -1.64 -0.13 0.00 -1.84 0.00 0.00 35.03 31.42 1xfu n LYS 303 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xfu n ALA 304 N -2.46 3.93 -0.01 7.82 0.00 0.46 -4.27 120.51 125.97 1xfu n ALA 304 Ca -0.15 -0.53 0.16 0.00 0.00 0.00 0.00 53.44 52.91 1xfu n ALA 304 Cb 0.86 -0.71 0.61 0.00 0.00 0.00 0.00 19.45 20.20 1xfu n ALA 304 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xfu h SER 305 N 0.00 0.15 0.00 0.00 0.87 -1.52 -3.44 113.55 109.62 1xfu h SER 305 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xfu h SER 305 Cb 0.63 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1xfu h SER 305 CO 0.00 0.09 0.00 0.61 -0.53 0.00 0.00 176.83 177.00 1xfu n GLY 306 N -1.58 1.46 3.15 5.77 0.00 -1.26 -2.92 105.19 109.82 1xfu n GLY 306 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1xfu n GLY 306 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xfu n LEU 307 N 0.00 -3.61 -4.55 0.99 4.32 -1.26 -4.49 117.00 108.40 1xfu n LEU 307 Ca 0.00 0.19 -0.39 0.00 -0.02 0.00 0.00 56.01 55.79 1xfu n LEU 307 Cb 0.00 -0.89 -0.11 0.00 -1.62 0.00 0.00 43.42 40.80 1xfu n LEU 307 CO 0.00 -4.71 -0.16 -0.69 -1.22 0.00 0.00 177.39 170.62 1xfu s VAL 308 N -2.14 5.21 0.20 4.08 1.01 -1.26 -4.96 120.40 122.54 1xfu s VAL 308 Ca 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 1xfu s VAL 308 Cb -0.16 -3.58 0.28 0.00 0.00 0.00 0.00 36.38 32.93 1xfu s VAL 308 CO 0.75 0.13 1.02 -2.65 0.00 0.00 0.00 175.10 174.35 1xfu n PRO 309 N 5.07 -0.05 0.23 2.72 -0.02 -1.26 0.14 135.00 141.82 1xfu n PRO 309 Ca -0.13 0.99 0.06 0.00 -2.02 0.00 0.00 63.50 62.40 1xfu n PRO 309 Cb 0.51 -1.55 0.52 0.00 -0.02 0.00 0.00 33.50 32.96 1xfu n PRO 309 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xfu h GLU 310 N 0.00 0.00 0.16 -0.52 5.08 -1.97 0.71 114.58 118.03 1xfu h GLU 310 Ca 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1xfu h GLU 310 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xfu h GLU 310 CO -0.63 0.19 -0.08 0.45 -1.00 0.00 0.00 179.01 177.94 1xfu h HIS 311 N 0.00 -0.20 -0.17 4.33 3.86 0.87 -1.42 115.15 122.42 1xfu h HIS 311 Ca -0.00 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1xfu h HIS 311 Cb 0.36 0.07 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 1xfu h HIS 311 CO 0.00 -0.10 -0.50 0.00 0.86 0.00 0.00 177.93 178.19 1xfu h ALA 312 N -1.02 -0.84 -0.98 2.45 0.00 -1.09 1.00 119.26 118.78 1xfu h ALA 312 Ca -0.02 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.07 1xfu h ALA 312 Cb 0.19 1.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1xfu h ALA 312 CO 0.04 -1.03 0.63 -0.44 0.00 0.00 0.00 179.25 178.45 1xfu h ASP 313 N -0.50 0.49 -0.50 0.00 3.32 -0.99 0.57 116.42 118.80 1xfu h ASP 313 Ca 0.04 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1xfu h ASP 313 Cb 0.61 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1xfu h ASP 313 CO -0.43 0.15 0.13 0.00 -1.72 0.00 0.00 179.24 177.37 1xfu h ALA 314 N 1.62 0.66 -0.60 3.45 0.00 0.14 -2.22 119.26 122.30 1xfu h ALA 314 Ca 0.54 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1xfu h ALA 314 Cb 1.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1xfu h ALA 314 CO -0.26 0.34 0.21 0.74 0.00 0.00 0.00 179.25 180.28 1xfu h PHE 315 N 0.68 0.90 0.00 0.00 0.05 0.56 -2.53 116.94 116.61 1xfu h PHE 315 Ca 0.16 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.88 1xfu h PHE 315 Cb 0.32 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.00 1xfu h PHE 315 CO 0.02 0.72 0.57 -0.22 -0.18 0.00 0.00 178.31 179.22 1xfu h LYS 316 N 0.87 0.00 0.17 1.51 3.64 0.11 0.31 116.57 123.19 1xfu h LYS 316 Ca 0.20 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.27 1xfu h LYS 316 Cb 0.22 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1xfu h LYS 316 CO -0.01 0.00 -1.49 -0.22 -2.27 0.00 0.00 179.45 175.45 1xfu h LYS 317 N 0.00 0.37 -0.49 1.90 3.64 -1.53 -3.34 116.57 117.12 1xfu h LYS 317 Ca 0.00 -0.63 -0.06 0.00 -1.27 0.00 0.00 60.65 58.69 1xfu h LYS 317 Cb 1.14 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1xfu h LYS 317 CO 0.00 1.30 0.07 0.82 -2.27 0.00 0.00 179.45 179.37 1xfu h ILE 318 N -0.06 1.25 0.01 2.00 5.03 -0.54 -1.93 117.51 123.26 1xfu h ILE 318 Ca -0.29 -0.94 0.03 0.00 -0.12 0.00 0.00 64.86 63.54 1xfu h ILE 318 Cb 1.96 0.92 -0.05 0.00 -3.03 0.00 0.00 36.82 36.62 1xfu h ILE 318 CO 0.16 0.33 -0.36 0.00 -0.68 0.00 0.00 178.15 177.60 1xfu h ALA 319 N 0.96 -0.54 -0.35 1.87 0.00 -1.65 -1.78 119.26 117.77 1xfu h ALA 319 Ca 0.15 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xfu h ALA 319 Cb 0.40 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1xfu h ALA 319 CO 0.01 -0.88 0.07 0.00 0.00 0.00 0.00 179.25 178.45 1xfu h ARG 320 N -0.52 0.18 -0.64 0.00 3.08 -1.38 0.58 114.38 115.69 1xfu h ARG 320 Ca 0.06 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1xfu h ARG 320 Cb 0.60 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1xfu h ARG 320 CO -0.28 0.12 0.23 1.49 -1.07 0.00 0.00 179.97 180.46 1xfu h GLU 321 N 0.19 0.97 -0.02 0.04 4.81 -1.09 -3.17 114.58 116.31 1xfu h GLU 321 Ca 0.17 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xfu h GLU 321 Cb 0.19 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1xfu h GLU 321 CO -0.22 0.83 -0.08 1.28 -0.73 0.00 0.00 179.01 180.09 1xfu n LEU 322 N -4.40 2.65 -3.40 1.64 4.77 -0.69 -5.03 117.00 112.54 1xfu n LEU 322 Ca 0.04 -0.95 -0.23 0.00 -0.03 0.00 0.00 56.01 54.84 1xfu n LEU 322 Cb 0.19 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1xfu n LEU 322 CO 0.40 0.46 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.60 1xfu n ASN 323 N 0.99 -6.12 -3.65 -1.43 4.05 0.20 -4.49 115.26 104.81 1xfu n ASN 323 Ca 0.12 -0.25 -0.05 0.00 0.45 0.00 0.00 54.58 54.85 1xfu n ASN 323 Cb 0.53 -2.92 -0.06 0.00 1.23 0.00 0.00 39.78 38.56 1xfu n ASN 323 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1xfu s THR 324 N -2.36 -0.53 0.67 -0.44 -4.23 -1.10 -1.23 115.64 106.42 1xfu s THR 324 Ca 0.19 0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.55 1xfu s THR 324 Cb -0.03 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 1xfu s THR 324 CO 0.84 0.01 1.12 -1.22 -0.54 0.00 0.00 174.62 174.83 1xfu n TYR 325 N 4.94 1.28 -4.19 3.99 4.02 0.67 -4.59 117.16 123.28 1xfu n TYR 325 Ca -0.15 0.42 -0.22 0.00 -0.01 0.00 0.00 57.90 57.94 1xfu n TYR 325 Cb 0.53 -2.17 -0.17 0.00 -0.02 0.00 0.00 39.34 37.51 1xfu n TYR 325 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1xfu s ILE 326 N -1.58 0.67 -0.02 -0.72 1.01 -1.11 -0.98 121.20 118.47 1xfu s ILE 326 Ca 0.78 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1xfu s ILE 326 Cb -0.37 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 1xfu s ILE 326 CO 0.45 0.26 -0.15 -0.76 0.00 0.00 0.00 174.94 174.75 1xfu s LEU 327 N 1.01 1.98 0.13 2.97 1.02 -0.56 -0.79 118.68 124.45 1xfu s LEU 327 Ca -0.09 -0.27 0.08 0.00 0.02 0.00 0.00 54.13 53.87 1xfu s LEU 327 Cb -0.14 -0.77 -0.04 0.00 0.02 0.00 0.00 46.19 45.26 1xfu s LEU 327 CO -0.00 0.16 -0.20 -0.36 0.02 0.00 0.00 176.35 175.97 1xfu s PHE 328 N -0.23 1.82 0.00 0.29 0.40 -0.02 0.15 117.98 120.40 1xfu s PHE 328 Ca 0.03 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1xfu s PHE 328 Cb -0.07 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.51 1xfu s PHE 328 CO -0.00 0.27 0.00 0.54 0.70 0.00 0.00 175.22 176.73 1xfu n ARG 329 N 0.69 0.30 -3.30 0.44 1.74 -0.58 -2.31 116.66 113.63 1xfu n ARG 329 Ca -0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.54 1xfu n ARG 329 Cb 0.55 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.93 1xfu n ARG 329 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1xfu s PRO 330 N -2.18 4.33 -0.26 5.56 0.02 -1.26 -4.64 135.00 136.57 1xfu s PRO 330 Ca 0.00 0.49 -0.22 0.00 0.02 0.00 0.00 61.00 61.29 1xfu s PRO 330 Cb 0.00 -3.42 -0.01 0.00 0.02 0.00 0.00 34.50 31.08 1xfu s PRO 330 CO 0.00 0.18 0.69 0.08 -0.33 0.00 0.00 177.00 177.63 1xfu s VAL 331 N 0.52 4.92 0.22 3.83 1.01 -1.15 -5.00 120.40 124.76 1xfu s VAL 331 Ca 0.27 1.22 -0.31 0.00 0.00 0.00 0.00 61.98 63.16 1xfu s VAL 331 Cb -0.15 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.08 1xfu s VAL 331 CO 0.11 -0.04 1.24 -3.20 0.00 0.00 0.00 175.10 173.21 1xfu n ASN 332 N 5.85 1.92 -0.15 3.32 5.15 -1.26 -3.99 115.26 126.10 1xfu n ASN 332 Ca 0.01 1.15 -0.06 0.00 -0.60 0.00 0.00 54.58 55.08 1xfu n ASN 332 Cb 0.48 -1.32 0.03 0.00 -0.53 0.00 0.00 39.78 38.45 1xfu n ASN 332 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1xfu h LYS 333 N 3.46 0.53 -2.07 1.20 6.56 -1.94 -2.52 116.57 121.79 1xfu h LYS 333 Ca -0.43 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.11 1xfu h LYS 333 Cb 1.32 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1xfu h LYS 333 CO 0.71 0.35 0.01 1.28 -2.06 0.00 0.00 179.45 179.74 1xfu n LEU 334 N -4.83 2.40 0.00 2.94 4.32 -1.26 -0.54 117.00 120.03 1xfu n LEU 334 Ca 0.03 -1.17 0.00 0.00 -0.02 0.00 0.00 56.01 54.85 1xfu n LEU 334 Cb 0.07 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1xfu n LEU 334 CO 0.32 0.46 0.00 0.00 -1.22 0.00 0.00 177.39 176.95 1xfu n ALA 335 N 1.91 0.01 -0.37 -1.18 0.00 -0.97 -3.48 120.51 116.42 1xfu n ALA 335 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 1xfu n ALA 335 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 1xfu n ALA 335 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xfu h THR 336 N 0.00 0.01 0.00 0.00 2.02 -0.56 0.54 112.91 114.92 1xfu h THR 336 Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.93 1xfu h THR 336 Cb 0.00 0.01 0.02 0.00 -1.74 0.00 0.00 68.15 66.44 1xfu h THR 336 CO 0.00 0.00 -0.98 0.78 0.37 0.00 0.00 175.52 175.69 1xfu h ASN 337 N -0.05 0.86 -0.58 4.18 2.35 -1.89 -2.91 115.58 117.54 1xfu h ASN 337 Ca 0.21 -0.74 0.17 0.00 -0.55 0.00 0.00 56.30 55.38 1xfu h ASN 337 Cb 0.49 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1xfu h ASN 337 CO -0.90 1.49 0.55 -0.07 -1.65 0.00 0.00 177.43 176.85 1xfu h LEU 338 N 0.32 0.00 0.08 1.61 3.38 -1.70 1.73 115.31 120.73 1xfu h LEU 338 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xfu h LEU 338 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1xfu h LEU 338 CO 0.19 0.00 -0.04 0.40 0.09 0.00 0.00 178.44 179.08 1xfu h ILE 339 N 0.00 1.11 -0.93 1.22 2.04 -0.77 0.41 117.51 120.59 1xfu h ILE 339 Ca 0.28 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1xfu h ILE 339 Cb 1.37 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.33 1xfu h ILE 339 CO -0.00 0.31 0.61 0.50 0.00 0.00 0.00 178.15 179.57 1xfu h LYS 340 N -0.84 1.12 -0.41 2.37 3.64 0.34 0.11 116.57 122.90 1xfu h LYS 340 Ca -0.01 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1xfu h LYS 340 Cb 0.60 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1xfu h LYS 340 CO 0.02 0.74 0.40 1.03 -2.27 0.00 0.00 179.45 179.37 1xfu h SER 341 N 1.15 0.00 0.00 4.20 0.87 0.23 -3.45 113.55 116.54 1xfu h SER 341 Ca 0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1xfu h SER 341 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1xfu h SER 341 CO -0.12 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.79 1xfu n GLY 342 N -1.50 0.98 3.72 5.77 0.00 0.38 -5.00 105.19 109.54 1xfu n GLY 342 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1xfu n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfu s VAL 343 N -2.00 3.10 1.06 1.61 1.01 0.11 -3.54 120.40 121.75 1xfu s VAL 343 Ca 0.00 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 1xfu s VAL 343 Cb 0.00 -3.52 0.22 0.00 0.00 0.00 0.00 36.38 33.09 1xfu s VAL 343 CO 0.00 0.07 1.08 0.00 0.00 0.00 0.00 175.10 176.25 1xfu s ALA 344 N 0.93 0.59 0.16 5.51 0.00 -1.11 -4.58 121.76 123.27 1xfu s ALA 344 Ca 0.65 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1xfu s ALA 344 Cb -0.39 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1xfu s ALA 344 CO 0.32 -3.16 0.02 0.95 0.00 0.00 0.00 175.76 173.90 1xfu s THR 345 N -2.88 3.87 0.06 0.00 -4.23 -1.26 -2.02 115.64 109.18 1xfu s THR 345 Ca 0.67 -1.32 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 1xfu s THR 345 Cb -0.19 -2.94 -0.07 0.00 1.34 0.00 0.00 72.50 70.64 1xfu s THR 345 CO 0.59 -0.08 1.52 -0.75 -0.54 0.00 0.00 174.62 175.35 1xfu s LYS 346 N -2.90 4.25 0.00 3.99 2.20 -0.20 -4.80 119.74 122.28 1xfu s LYS 346 Ca 0.28 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1xfu s LYS 346 Cb -0.10 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1xfu s LYS 346 CO 0.19 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1xfu n GLY 347 N 3.78 0.99 0.10 5.54 0.00 -1.26 -4.59 105.19 109.76 1xfu n GLY 347 Ca 0.14 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 1xfu n GLY 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xfu n LEU 348 N 0.00 0.17 -0.23 0.99 4.77 -1.26 -4.30 117.00 117.14 1xfu n LEU 348 Ca 0.00 -0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1xfu n LEU 348 Cb 0.00 0.42 0.46 0.00 -2.33 0.00 0.00 43.42 41.97 1xfu n LEU 348 CO 0.00 0.52 1.22 -0.55 -1.33 0.00 0.00 177.39 177.25 1xfu h ASN 349 N 0.00 0.49 -3.28 -1.43 -0.00 -1.95 -3.39 115.58 106.02 1xfu h ASN 349 Ca -0.55 0.04 -0.60 0.00 -0.00 0.00 0.00 56.30 55.19 1xfu h ASN 349 Cb 2.23 -0.06 -0.12 0.00 -0.00 0.00 0.00 38.32 40.37 1xfu h ASN 349 CO 0.02 0.23 -0.49 -0.69 -0.00 0.00 0.00 177.43 176.51 1xfu s VAL 350 N -5.51 5.41 -0.18 6.14 1.01 -1.26 -4.63 120.40 121.37 1xfu s VAL 350 Ca -0.09 0.20 0.13 0.00 0.00 0.00 0.00 61.98 62.22 1xfu s VAL 350 Cb 0.22 -3.47 0.40 0.00 0.00 0.00 0.00 36.38 33.53 1xfu s VAL 350 CO 0.78 0.44 1.21 1.41 0.00 0.00 0.00 175.10 178.93 1xfu n HIS 351 N 3.53 0.00 -2.43 5.22 8.25 -1.26 -4.75 115.22 123.78 1xfu n HIS 351 Ca -0.16 -1.35 -0.27 0.00 -0.26 0.00 0.00 57.72 55.68 1xfu n HIS 351 Cb 0.52 -0.23 0.02 0.00 1.12 0.00 0.00 29.99 31.42 1xfu n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xfu s GLY 352 N -3.08 1.57 0.03 -1.41 0.00 -1.26 -4.88 107.32 98.29 1xfu s GLY 352 Ca 0.37 -0.57 -0.16 0.00 0.00 0.00 0.00 44.72 44.36 1xfu s GLY 352 CO -0.07 -0.33 0.46 0.54 0.00 0.00 0.00 173.10 173.70 1xfu s LYS 353 N -4.92 3.98 0.00 2.90 -0.14 -1.26 -5.06 119.74 115.24 1xfu s LYS 353 Ca 0.52 0.49 0.00 0.00 -1.36 0.00 0.00 55.97 55.61 1xfu s LYS 353 Cb -0.10 -3.19 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1xfu s LYS 353 CO 0.46 0.66 0.00 0.45 -0.76 0.00 0.00 175.35 176.16 1xfu n SER 354 N 1.68 -0.16 -3.77 2.83 2.88 -1.26 -4.38 113.62 111.43 1xfu n SER 354 Ca -0.12 -0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.04 1xfu n SER 354 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 1xfu n SER 354 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xfu s SER 355 N -1.23 -0.05 -0.40 -3.46 0.15 -1.24 -2.38 113.70 105.09 1xfu s SER 355 Ca 0.00 -0.38 0.10 0.00 0.70 0.00 0.00 55.95 56.38 1xfu s SER 355 Cb 0.00 0.37 0.33 0.00 -1.71 0.00 0.00 66.02 65.00 1xfu s SER 355 CO 0.00 -0.69 0.71 -0.90 1.20 0.00 0.00 173.24 173.56 1xfu n ASP 356 N 0.24 1.10 0.00 5.45 3.85 -1.26 -2.28 116.55 123.65 1xfu n ASP 356 Ca -0.17 -3.02 0.00 0.00 -0.71 0.00 0.00 54.79 50.89 1xfu n ASP 356 Cb 0.61 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 1xfu n ASP 356 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.20 173.52 1xfu n TRP 357 N 0.48 0.00 -4.37 2.11 4.27 -1.26 -4.98 117.44 113.69 1xfu n TRP 357 Ca 0.25 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 1xfu n TRP 357 Cb 0.60 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.55 1xfu n TRP 357 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1xfu n GLY 358 N -0.63 -1.66 0.15 -1.67 0.00 -1.24 -2.85 105.19 97.29 1xfu n GLY 358 Ca 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 1xfu n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfu h PRO 359 N 0.00 0.18 -0.19 1.61 0.13 -1.93 -3.30 132.00 128.50 1xfu h PRO 359 Ca 0.00 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.90 1xfu h PRO 359 Cb 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1xfu h PRO 359 CO 0.00 0.80 -0.27 -0.24 -0.23 0.00 0.00 178.00 178.05 1xfu h VAL 360 N 0.12 1.26 -0.01 1.56 3.04 -1.94 -3.48 116.25 116.82 1xfu h VAL 360 Ca -0.02 -1.25 -0.00 0.00 -1.01 0.00 0.00 66.70 64.42 1xfu h VAL 360 Cb 1.23 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1xfu h VAL 360 CO 0.10 0.39 0.00 0.00 -1.01 0.00 0.00 177.57 177.05 1xfu n ALA 361 N -2.48 -0.18 -0.16 3.17 0.00 -1.13 -1.69 120.51 118.04 1xfu n ALA 361 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xfu n ALA 361 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1xfu n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfu n GLY 362 N 0.02 0.60 3.46 0.00 0.00 -0.96 -4.92 105.19 103.39 1xfu n GLY 362 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xfu n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfu s TYR 363 N -2.36 2.33 -1.18 1.61 1.51 -0.68 -4.25 117.35 114.32 1xfu s TYR 363 Ca 0.00 -0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 55.62 1xfu s TYR 363 Cb 0.00 -1.08 0.22 0.00 -0.11 0.00 0.00 41.96 40.99 1xfu s TYR 363 CO 0.00 0.61 1.40 -0.89 -1.11 0.00 0.00 175.55 175.55 1xfu n ILE 364 N -0.20 4.50 -1.61 2.71 2.08 -1.19 -3.66 119.36 121.98 1xfu n ILE 364 Ca -0.09 -5.04 -0.64 0.00 0.56 0.00 0.00 62.75 57.54 1xfu n ILE 364 Cb 0.58 -2.45 -0.10 0.00 -0.75 0.00 0.00 39.64 36.92 1xfu n ILE 364 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1xfu n PRO 365 N 3.92 0.22 -0.31 0.38 -0.04 -1.26 -2.13 135.00 135.78 1xfu n PRO 365 Ca 0.32 0.08 0.22 0.00 -0.04 0.00 0.00 63.50 64.08 1xfu n PRO 365 Cb 0.39 -1.63 0.51 0.00 -0.04 0.00 0.00 33.50 32.74 1xfu n PRO 365 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1xfu h PHE 366 N 6.63 0.62 -3.27 0.54 3.57 -1.75 -3.29 116.94 119.98 1xfu h PHE 366 Ca -0.35 0.02 -0.58 0.00 3.53 0.00 0.00 57.97 60.59 1xfu h PHE 366 Cb 1.37 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 1xfu h PHE 366 CO 0.76 0.08 0.47 0.34 -2.23 0.00 0.00 178.31 177.73 1xfu s ASP 367 N -5.33 7.00 0.28 0.41 2.15 -1.26 -4.80 116.67 115.11 1xfu s ASP 367 Ca -0.08 1.24 0.15 0.00 0.43 0.00 0.00 52.55 54.28 1xfu s ASP 367 Cb 0.25 -2.48 0.21 0.00 -0.30 0.00 0.00 42.92 40.60 1xfu s ASP 367 CO 0.80 -0.44 1.51 1.56 -0.17 0.00 0.00 175.17 178.42 1xfu h GLN 368 N 7.34 0.00 -0.95 4.34 1.08 -1.87 -3.16 115.11 121.89 1xfu h GLN 368 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1xfu h GLN 368 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1xfu h GLN 368 CO 0.86 0.55 0.00 -3.47 -0.95 0.00 0.00 178.83 175.82 1xfu n ASP 369 N -3.35 1.33 -0.72 1.46 2.03 -1.26 -1.49 116.55 114.55 1xfu n ASP 369 Ca 0.01 -1.47 0.02 0.00 0.52 0.00 0.00 54.79 53.87 1xfu n ASP 369 Cb 0.70 -0.37 0.03 0.00 -0.72 0.00 0.00 41.12 40.76 1xfu n ASP 369 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1xfu n LEU 370 N 0.33 0.61 -4.27 -2.67 0.00 -1.19 -4.83 117.00 104.98 1xfu n LEU 370 Ca 0.00 -1.59 -0.15 0.00 0.00 0.00 0.00 56.01 54.26 1xfu n LEU 370 Cb 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 43.42 43.51 1xfu n LEU 370 CO 0.00 0.41 -0.42 -0.94 0.00 0.00 0.00 177.39 176.44 1xfu s SER 371 N -1.54 1.97 0.00 1.96 1.04 -0.56 -4.72 113.70 111.85 1xfu s SER 371 Ca 0.14 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1xfu s SER 371 Cb 0.14 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1xfu s SER 371 CO -0.04 -0.28 0.00 2.29 0.98 0.00 0.00 173.24 176.19 1xfu n LYS 372 N -0.15 0.00 -0.51 4.02 2.85 -1.00 -2.27 118.16 121.11 1xfu n LYS 372 Ca -0.10 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.91 1xfu n LYS 372 Cb 0.60 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.94 1xfu n LYS 372 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xfu n LYS 373 N -3.31 0.74 -2.88 -1.58 4.76 -1.26 -4.83 118.16 109.79 1xfu n LYS 373 Ca 0.00 -1.09 -0.43 0.00 -2.87 0.00 0.00 58.31 53.92 1xfu n LYS 373 Cb 0.00 -2.40 -0.04 0.00 -1.84 0.00 0.00 35.03 30.75 1xfu n LYS 373 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1xfu s HIS 374 N 5.17 2.82 0.00 2.13 5.65 -0.96 -3.78 115.29 126.31 1xfu s HIS 374 Ca 0.37 -0.12 0.00 0.00 0.25 0.00 0.00 55.06 55.57 1xfu s HIS 374 Cb 0.09 -4.02 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 1xfu s HIS 374 CO 0.10 -1.33 0.00 0.41 -0.65 0.00 0.00 174.74 173.28 1xfu n GLY 375 N 5.14 0.47 3.39 1.59 0.00 -1.26 -5.01 105.19 109.51 1xfu n GLY 375 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1xfu n GLY 375 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xfu n GLN 376 N 0.00 0.16 -0.25 1.61 3.00 -1.25 -4.71 117.38 115.95 1xfu n GLN 376 Ca 0.00 -1.02 0.23 0.00 -0.01 0.00 0.00 57.00 56.20 1xfu n GLN 376 Cb 0.00 -2.47 0.35 0.00 0.00 0.00 0.00 30.24 28.12 1xfu n GLN 376 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1xfu n GLN 377 N 7.47 0.01 -0.07 -1.09 0.00 -1.26 0.78 117.38 123.22 1xfu n GLN 377 Ca 0.41 0.62 -0.08 0.00 -0.00 0.00 0.00 57.00 57.96 1xfu n GLN 377 Cb 0.36 -1.51 -0.10 0.00 0.00 0.00 0.00 30.24 28.99 1xfu n GLN 377 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1xfu n LEU 378 N -2.72 0.46 -0.10 1.69 7.94 -1.26 -2.82 117.00 120.19 1xfu n LEU 378 Ca 0.19 -0.01 -0.11 0.00 -1.11 0.00 0.00 56.01 54.96 1xfu n LEU 378 Cb 1.03 0.19 -0.04 0.00 0.53 0.00 0.00 43.42 45.14 1xfu n LEU 378 CO 0.19 0.41 0.74 0.00 -1.11 0.00 0.00 177.39 177.62 1xfu h ALA 379 N 0.57 0.40 -0.34 1.96 0.00 -0.02 0.69 119.26 122.52 1xfu h ALA 379 Ca -0.38 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1xfu h ALA 379 Cb 1.81 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1xfu h ALA 379 CO 0.01 0.18 -0.14 0.28 0.00 0.00 0.00 179.25 179.58 1xfu h VAL 380 N 0.32 1.29 0.34 0.00 2.07 -0.88 2.04 116.25 121.42 1xfu h VAL 380 Ca 0.08 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1xfu h VAL 380 Cb 0.49 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1xfu h VAL 380 CO 0.02 0.41 -0.52 -0.08 0.02 0.00 0.00 177.57 177.42 1xfu h GLU 381 N 0.48 -0.87 0.00 1.57 4.57 -1.31 0.49 114.58 119.51 1xfu h GLU 381 Ca 0.08 0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1xfu h GLU 381 Cb 0.67 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1xfu h GLU 381 CO 0.05 -0.58 -0.30 -0.22 -1.18 0.00 0.00 179.01 176.77 1xfu h LYS 382 N -0.91 0.00 -0.14 1.92 3.64 0.51 -2.79 116.57 118.80 1xfu h LYS 382 Ca -0.04 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1xfu h LYS 382 Cb 0.83 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1xfu h LYS 382 CO -0.16 0.30 0.05 0.78 -2.27 0.00 0.00 179.45 178.15 1xfu h GLY 383 N 0.99 0.17 0.98 5.01 0.00 0.52 -2.01 103.07 108.73 1xfu h GLY 383 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1xfu h GLY 383 CO 0.04 0.02 -0.13 3.43 0.00 0.00 0.00 176.54 179.90 1xfu h ASN 384 N 0.12 -0.32 -0.27 0.19 2.35 0.06 -1.44 115.58 116.27 1xfu h ASN 384 Ca 0.06 -0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.88 1xfu h ASN 384 Cb 0.03 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1xfu h ASN 384 CO -0.06 -0.21 0.80 0.25 -1.65 0.00 0.00 177.43 176.57 1xfu h LEU 385 N -0.39 0.00 0.17 1.61 7.12 -1.20 0.02 115.31 122.64 1xfu h LEU 385 Ca -0.04 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.70 1xfu h LEU 385 Cb 0.30 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.45 1xfu h LEU 385 CO 0.06 0.00 -1.27 -0.08 -0.13 0.00 0.00 178.44 177.02 1xfu h GLU 386 N 0.00 0.36 -0.34 1.25 4.57 -0.53 -3.18 114.58 116.71 1xfu h GLU 386 Ca 0.13 -0.62 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 1xfu h GLU 386 Cb 1.73 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 30.55 1xfu h GLU 386 CO -0.00 1.30 -0.17 -0.91 -1.18 0.00 0.00 179.01 178.04 1xfu h ASN 387 N -0.16 0.74 -0.44 1.04 -0.26 -0.96 -1.13 115.58 114.41 1xfu h ASN 387 Ca -0.24 -0.41 0.08 0.00 -0.56 0.00 0.00 56.30 55.17 1xfu h ASN 387 Cb 1.87 -0.21 -0.10 0.00 -1.06 0.00 0.00 38.32 38.83 1xfu h ASN 387 CO 0.16 0.99 -0.35 0.11 -1.06 0.00 0.00 177.43 177.29 1xfu h LYS 388 N 0.50 -0.24 -0.57 0.81 1.57 -1.59 -0.04 116.57 117.01 1xfu h LYS 388 Ca 0.08 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1xfu h LYS 388 Cb 0.71 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1xfu h LYS 388 CO 0.05 -0.16 0.05 -0.22 -0.57 0.00 0.00 179.45 178.61 1xfu h LYS 389 N -0.25 0.98 -0.94 3.15 3.64 -1.52 1.02 116.57 122.65 1xfu h LYS 389 Ca 0.18 -0.28 0.28 0.00 -1.27 0.00 0.00 60.65 59.56 1xfu h LYS 389 Cb 0.55 -0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.11 1xfu h LYS 389 CO -0.58 0.95 0.32 0.77 -2.27 0.00 0.00 179.45 178.65 1xfu h SER 390 N 0.87 0.10 0.00 4.20 0.02 0.26 0.25 113.55 119.24 1xfu h SER 390 Ca 0.17 0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1xfu h SER 390 Cb 0.47 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1xfu h SER 390 CO 0.02 -0.21 -0.30 0.40 -1.14 0.00 0.00 176.83 175.60 1xfu h ILE 391 N 0.19 0.77 -0.31 3.27 2.04 -0.46 -2.87 117.51 120.14 1xfu h ILE 391 Ca 0.63 -1.66 0.03 0.00 1.00 0.00 0.00 64.86 64.86 1xfu h ILE 391 Cb 1.39 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 1xfu h ILE 391 CO -0.69 0.26 -0.18 0.41 0.00 0.00 0.00 178.15 177.95 1xfu n THR 392 N -4.64 -0.21 0.14 -0.27 -1.04 0.35 -2.33 114.28 106.28 1xfu n THR 392 Ca -0.10 1.46 -0.06 0.00 -2.04 0.00 0.00 64.05 63.31 1xfu n THR 392 Cb 0.32 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 66.93 1xfu n THR 392 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1xfu h GLU 393 N 0.00 -0.36 -4.61 -2.82 5.08 -0.72 -3.38 114.58 107.77 1xfu h GLU 393 Ca 0.05 0.02 -0.72 0.00 -1.00 0.00 0.00 59.36 57.71 1xfu h GLU 393 Cb 0.13 0.08 -0.21 0.00 0.50 0.00 0.00 28.75 29.25 1xfu h GLU 393 CO -0.29 -0.24 0.51 -1.01 -1.00 0.00 0.00 179.01 176.98 1xfu s HIS 394 N -3.34 3.31 0.40 4.33 3.76 -1.08 -5.02 115.29 117.65 1xfu s HIS 394 Ca -0.05 -1.52 0.08 0.00 -0.15 0.00 0.00 55.06 53.41 1xfu s HIS 394 Cb 0.01 -4.10 -0.01 0.00 1.11 0.00 0.00 32.58 29.58 1xfu s HIS 394 CO 0.16 -1.31 0.44 -1.83 -0.85 0.00 0.00 174.74 171.36 1xfu s GLU 395 N 1.89 2.70 0.00 1.40 4.04 -0.98 -2.76 118.70 124.99 1xfu s GLU 395 Ca 0.25 -1.37 0.00 0.00 0.04 0.00 0.00 54.97 53.90 1xfu s GLU 395 Cb -0.09 -2.56 0.00 0.00 0.02 0.00 0.00 34.13 31.50 1xfu s GLU 395 CO -0.07 -0.17 0.00 0.41 -1.84 0.00 0.00 175.26 173.59 1xfu n GLY 396 N -1.64 2.08 0.00 -3.83 0.00 -1.26 -4.38 105.19 96.15 1xfu n GLY 396 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xfu n GLY 396 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xfu n GLU 397 N -1.77 1.78 -4.33 1.61 4.07 -1.26 -4.69 120.64 116.04 1xfu n GLU 397 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1xfu n GLU 397 Cb 0.00 -0.93 -0.16 0.00 -0.06 0.00 0.00 31.44 30.29 1xfu n GLU 397 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1xfu s ILE 398 N -1.86 1.94 0.00 6.31 -1.09 -1.11 0.17 121.20 125.56 1xfu s ILE 398 Ca 0.00 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 1xfu s ILE 398 Cb 0.00 -1.75 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 1xfu s ILE 398 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1xfu n GLY 399 N 4.41 2.95 3.07 6.18 0.00 -0.55 -4.34 105.19 116.92 1xfu n GLY 399 Ca -0.20 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 1xfu n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfu s LYS 400 N 0.04 1.59 0.15 1.61 0.00 -1.26 -0.01 119.74 121.86 1xfu s LYS 400 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 55.97 55.53 1xfu s LYS 400 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 37.83 36.41 1xfu s LYS 400 CO 0.00 0.15 -0.11 0.96 0.00 0.00 0.00 175.35 176.35 1xfu s ILE 401 N 0.25 1.27 0.35 3.79 -4.36 -0.32 -4.85 121.20 117.33 1xfu s ILE 401 Ca -0.07 -2.03 -0.28 0.00 -0.26 0.00 0.00 60.65 58.00 1xfu s ILE 401 Cb -0.12 -1.83 -0.10 0.00 1.25 0.00 0.00 42.46 41.66 1xfu s ILE 401 CO 0.02 -0.68 1.36 -2.84 0.24 0.00 0.00 174.94 173.04 1xfu s PRO 402 N -3.58 4.27 -0.48 0.37 0.02 -1.26 0.13 135.00 134.46 1xfu s PRO 402 Ca 0.16 2.32 -0.28 0.00 0.02 0.00 0.00 61.00 63.22 1xfu s PRO 402 Cb 0.01 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1xfu s PRO 402 CO 0.02 -0.30 1.57 -1.17 -0.33 0.00 0.00 177.00 176.79 1xfu s LEU 403 N -1.91 3.45 -0.61 -5.54 2.96 0.39 -4.84 118.68 112.57 1xfu s LEU 403 Ca 0.50 0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 55.01 1xfu s LEU 403 Cb -0.42 -3.18 0.16 0.00 0.50 0.00 0.00 46.19 43.25 1xfu s LEU 403 CO 0.56 -1.76 0.44 -0.54 -1.32 0.00 0.00 176.35 173.73 1xfu s LYS 404 N 5.66 2.59 -0.50 1.98 1.02 -1.26 -2.10 119.74 127.13 1xfu s LYS 404 Ca 0.63 -2.42 -0.27 0.00 0.02 0.00 0.00 55.97 53.92 1xfu s LYS 404 Cb -0.14 -3.78 -0.01 0.00 -0.52 0.00 0.00 37.83 33.37 1xfu s LYS 404 CO 0.28 -1.17 1.77 -0.51 -0.92 0.00 0.00 175.35 174.79 1xfu s LEU 405 N 0.14 3.39 0.00 3.17 1.02 -1.22 -4.96 118.68 120.22 1xfu s LEU 405 Ca 0.16 0.69 0.00 0.00 0.02 0.00 0.00 54.13 55.00 1xfu s LEU 405 Cb -0.20 -2.98 0.00 0.00 0.02 0.00 0.00 46.19 43.03 1xfu s LEU 405 CO -0.04 -2.03 0.00 -0.90 0.02 0.00 0.00 176.35 173.41 1xfu n ASP 406 N 11.36 -1.23 0.00 2.29 5.75 -1.26 -4.77 116.55 128.69 1xfu n ASP 406 Ca 0.20 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1xfu n ASP 406 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1xfu n ASP 406 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xfu n HIS 407 N -2.28 0.00 -0.33 2.11 8.25 -1.26 -3.54 115.22 118.17 1xfu n HIS 407 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 1xfu n HIS 407 Cb 0.00 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.44 1xfu n HIS 407 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xfu h LEU 408 N 0.00 -0.32 -0.62 2.41 4.07 -2.01 -1.79 115.31 117.04 1xfu h LEU 408 Ca 0.00 0.27 0.10 0.00 0.08 0.00 0.00 57.88 58.33 1xfu h LEU 408 Cb 0.00 0.43 -0.11 0.00 1.08 0.00 0.00 40.66 42.06 1xfu h LEU 408 CO 0.00 -0.34 -0.41 -0.09 -1.08 0.00 0.00 178.44 176.52 1xfu h ARG 409 N 0.03 -0.18 -0.51 1.13 9.65 -1.93 -1.92 114.38 120.65 1xfu h ARG 409 Ca 0.63 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 59.62 1xfu h ARG 409 Cb 1.35 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 29.88 1xfu h ARG 409 CO -0.87 -0.12 -0.05 0.82 2.80 0.00 0.00 179.97 182.54 1xfu h ILE 410 N -0.19 0.55 0.00 1.20 1.08 -1.37 0.22 117.51 119.01 1xfu h ILE 410 Ca 0.21 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.65 1xfu h ILE 410 Cb 0.56 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1xfu h ILE 410 CO -0.71 0.01 -0.02 -0.33 -0.69 0.00 0.00 178.15 176.40 1xfu h GLU 411 N 0.06 0.00 0.03 2.37 5.08 -1.46 -2.58 114.58 118.09 1xfu h GLU 411 Ca 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1xfu h GLU 411 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xfu h GLU 411 CO -0.47 0.02 -0.02 1.49 -1.00 0.00 0.00 179.01 179.04 1xfu h GLU 412 N 0.00 -0.04 0.00 2.33 4.81 -0.12 -2.75 114.58 118.81 1xfu h GLU 412 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xfu h GLU 412 Cb 0.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1xfu h GLU 412 CO 0.00 0.59 0.00 1.28 -0.73 0.00 0.00 179.01 180.15 1xfu n LEU 413 N -4.79 0.00 -0.04 1.64 4.77 -0.74 -2.75 117.00 115.09 1xfu n LEU 413 Ca -0.09 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.87 1xfu n LEU 413 Cb 0.32 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1xfu n LEU 413 CO 0.32 0.00 -0.19 1.17 -1.33 0.00 0.00 177.39 177.36 1xfu n LYS 414 N -0.92 0.24 0.00 3.23 0.00 -0.99 -0.22 118.16 119.49 1xfu n LYS 414 Ca 0.11 0.38 0.02 0.00 0.00 0.00 0.00 58.31 58.82 1xfu n LYS 414 Cb 0.05 -1.23 0.15 0.00 0.00 0.00 0.00 35.03 34.00 1xfu n LYS 414 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xfu n GLU 415 N -3.49 0.44 -0.04 1.64 0.00 -1.05 -0.64 120.64 117.51 1xfu n GLU 415 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.14 1xfu n GLU 415 Cb 0.14 -1.18 -0.13 0.00 0.00 0.00 0.00 31.44 30.28 1xfu n GLU 415 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1xfu n ASN 416 N -0.68 1.00 0.00 -1.84 2.85 -1.11 -5.00 115.26 110.48 1xfu n ASN 416 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1xfu n ASN 416 Cb 0.02 1.44 0.00 0.00 1.24 0.00 0.00 39.78 42.48 1xfu n ASN 416 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xfu n GLY 417 N 1.70 0.70 0.21 8.20 0.00 0.18 -4.94 105.19 111.25 1xfu n GLY 417 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1xfu n GLY 417 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xfu h ILE 418 N 0.00 1.31 -4.12 -0.61 1.08 -1.58 -3.45 117.51 110.14 1xfu h ILE 418 Ca 0.00 -1.57 -0.15 0.00 -0.39 0.00 0.00 64.86 62.76 1xfu h ILE 418 Cb 0.00 1.63 -0.18 0.00 -3.07 0.00 0.00 36.82 35.21 1xfu h ILE 418 CO 0.00 0.48 -0.69 0.27 -0.69 0.00 0.00 178.15 177.52 1xfu s ILE 419 N -4.18 0.19 -0.19 -0.67 -4.36 0.69 -3.58 121.20 109.09 1xfu s ILE 419 Ca -0.06 -1.43 -0.01 0.00 -0.26 0.00 0.00 60.65 58.90 1xfu s ILE 419 Cb 0.13 -0.99 0.05 0.00 1.25 0.00 0.00 42.46 42.90 1xfu s ILE 419 CO 0.80 -0.78 -0.03 -0.22 0.24 0.00 0.00 174.94 174.95 1xfu s LEU 420 N -2.30 1.81 -0.33 0.37 1.98 -0.48 -4.26 118.68 115.48 1xfu s LEU 420 Ca -0.03 -0.86 -0.23 0.00 -2.89 0.00 0.00 54.13 50.12 1xfu s LEU 420 Cb 0.00 -0.92 0.00 0.00 0.66 0.00 0.00 46.19 45.93 1xfu s LEU 420 CO -0.06 -0.23 0.77 -0.75 -1.89 0.00 0.00 176.35 174.19 1xfu s LYS 421 N 1.61 3.88 0.00 1.98 2.20 -1.26 -1.81 119.74 126.34 1xfu s LYS 421 Ca -0.02 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1xfu s LYS 421 Cb -0.17 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1xfu s LYS 421 CO -0.07 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 1xfu n GLY 422 N 4.34 5.10 2.62 5.54 0.00 -1.26 -5.05 105.19 116.48 1xfu n GLY 422 Ca 0.03 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1xfu n GLY 422 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfu n LYS 423 N 0.00 0.00 -4.32 1.61 4.81 -1.26 -4.58 118.16 114.43 1xfu n LYS 423 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1xfu n LYS 423 Cb 0.00 -0.85 -0.04 0.00 0.02 0.00 0.00 35.03 34.16 1xfu n LYS 423 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1xfu s LYS 424 N -1.42 2.23 -0.06 1.64 1.02 -1.26 -2.41 119.74 119.47 1xfu s LYS 424 Ca 0.39 -2.22 -0.31 0.00 0.02 0.00 0.00 55.97 53.85 1xfu s LYS 424 Cb -0.24 -1.82 0.11 0.00 -0.52 0.00 0.00 37.83 35.36 1xfu s LYS 424 CO 0.66 -0.50 1.09 -2.00 -0.92 0.00 0.00 175.35 173.68 1xfu s GLU 425 N -4.09 0.59 0.02 1.68 2.56 -0.76 -4.84 118.70 113.86 1xfu s GLU 425 Ca 0.19 -0.26 0.08 0.00 0.00 0.00 0.00 54.97 54.99 1xfu s GLU 425 Cb -0.01 0.25 -0.02 0.00 2.00 0.00 0.00 34.13 36.35 1xfu s GLU 425 CO 0.12 -0.26 -0.25 0.42 -0.56 0.00 0.00 175.26 174.73 1xfu s ILE 426 N -2.74 1.99 -0.31 -3.70 -1.09 -1.26 -2.09 121.20 111.99 1xfu s ILE 426 Ca 0.09 -1.24 0.06 0.00 -2.23 0.00 0.00 60.65 57.34 1xfu s ILE 426 Cb -0.00 -1.69 0.20 0.00 -1.58 0.00 0.00 42.46 39.39 1xfu s ILE 426 CO -0.05 0.40 0.60 -0.62 -1.23 0.00 0.00 174.94 174.05 1xfu s ASP 427 N -1.00 -1.61 0.00 3.58 3.68 -1.12 -4.91 116.67 115.30 1xfu s ASP 427 Ca 0.10 -0.00 0.00 0.00 2.13 0.00 0.00 52.55 54.78 1xfu s ASP 427 Cb -0.10 2.02 0.00 0.00 -1.45 0.00 0.00 42.92 43.39 1xfu s ASP 427 CO 0.01 -0.27 0.00 0.59 0.13 0.00 0.00 175.17 175.63 1xfu n ASN 428 N 5.22 -0.43 0.00 -0.34 3.02 -1.26 -3.85 115.26 117.62 1xfu n ASN 428 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1xfu n ASN 428 Cb 0.55 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1xfu n ASN 428 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xfu n GLY 429 N -2.14 1.32 3.61 7.41 0.00 -1.26 -5.12 105.19 109.01 1xfu n GLY 429 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1xfu n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfu s LYS 430 N -0.09 2.20 0.10 1.61 1.02 -1.25 -5.12 119.74 118.21 1xfu s LYS 430 Ca 0.00 -1.27 -0.22 0.00 0.02 0.00 0.00 55.97 54.50 1xfu s LYS 430 Cb 0.00 -2.20 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 1xfu s LYS 430 CO 0.00 0.42 0.65 0.15 -0.92 0.00 0.00 175.35 175.65 1xfu s LYS 431 N -3.08 4.35 -0.21 1.68 1.02 -1.26 -2.81 119.74 119.43 1xfu s LYS 431 Ca 0.27 0.89 -0.02 0.00 0.02 0.00 0.00 55.97 57.13 1xfu s LYS 431 Cb -0.08 -3.26 0.06 0.00 -0.52 0.00 0.00 37.83 34.03 1xfu s LYS 431 CO 0.17 0.59 0.04 0.71 -0.92 0.00 0.00 175.35 175.93 1xfu s TYR 432 N -1.02 1.16 0.14 3.18 4.12 -0.89 -2.02 117.35 122.02 1xfu s TYR 432 Ca 0.32 -0.99 -0.30 0.00 0.02 0.00 0.00 57.07 56.12 1xfu s TYR 432 Cb -0.21 -1.12 -0.07 0.00 -1.52 0.00 0.00 41.96 39.05 1xfu s TYR 432 CO 0.22 -0.65 1.08 0.71 0.02 0.00 0.00 175.55 176.93 1xfu s TYR 433 N 1.81 3.61 -0.21 2.71 1.51 -1.13 -1.82 117.35 123.84 1xfu s TYR 433 Ca -0.00 1.60 -0.25 0.00 -1.01 0.00 0.00 57.07 57.40 1xfu s TYR 433 Cb -0.17 -3.25 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1xfu s TYR 433 CO -0.10 -0.52 0.85 -1.17 -1.11 0.00 0.00 175.55 173.50 1xfu s LEU 434 N 0.00 4.13 -0.17 -1.29 1.98 -1.01 -1.44 118.68 120.88 1xfu s LEU 434 Ca 0.50 1.13 -0.19 0.00 -2.89 0.00 0.00 54.13 52.68 1xfu s LEU 434 Cb -0.28 -3.24 -0.03 0.00 0.66 0.00 0.00 46.19 43.30 1xfu s LEU 434 CO 0.33 -0.47 0.54 -0.76 -1.89 0.00 0.00 176.35 174.10 1xfu s LEU 435 N 2.54 4.19 0.13 -0.68 1.43 0.14 -4.00 118.68 122.43 1xfu s LEU 435 Ca 0.37 0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 54.20 1xfu s LEU 435 Cb -0.16 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 1xfu s LEU 435 CO 0.10 -0.15 0.36 -0.70 0.23 0.00 0.00 176.35 176.18 1xfu s GLU 436 N 1.40 3.61 -0.28 1.70 2.56 -0.75 -3.40 118.70 123.54 1xfu s GLU 436 Ca 0.26 -0.10 -0.19 0.00 0.00 0.00 0.00 54.97 54.95 1xfu s GLU 436 Cb -0.16 -2.88 0.10 0.00 2.00 0.00 0.00 34.13 33.19 1xfu s GLU 436 CO 0.10 0.49 0.80 0.45 -0.56 0.00 0.00 175.26 176.54 1xfu s SER 437 N -2.36 -0.75 0.00 -1.70 0.15 -1.26 -1.38 113.70 106.40 1xfu s SER 437 Ca 0.39 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1xfu s SER 437 Cb -0.12 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1xfu s SER 437 CO 0.24 -0.21 0.11 -3.20 1.20 0.00 0.00 173.24 171.38 1xfu n ASN 438 N 3.53 0.00 -4.77 5.45 4.05 -1.26 -4.70 115.26 117.56 1xfu n ASN 438 Ca -0.17 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.45 1xfu n ASN 438 Cb 0.57 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.57 1xfu n ASN 438 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1xfu s ASN 439 N -1.77 6.58 -0.28 1.20 3.84 -1.26 -4.92 114.94 118.33 1xfu s ASN 439 Ca 0.00 2.83 0.12 0.00 0.21 0.00 0.00 52.86 56.02 1xfu s ASN 439 Cb 0.00 -2.65 0.70 0.00 -0.55 0.00 0.00 41.25 38.74 1xfu s ASN 439 CO 0.00 -0.69 1.70 0.00 -2.79 0.00 0.00 177.10 175.32 1xfu n GLN 440 N 0.88 3.58 0.00 0.43 10.64 -1.26 -4.51 117.38 127.14 1xfu n GLN 440 Ca 0.01 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.11 1xfu n GLN 440 Cb 0.40 -2.12 0.00 0.00 -0.86 0.00 0.00 30.24 27.66 1xfu n GLN 440 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1xfu n VAL 441 N -0.21 0.00 -4.14 -0.39 0.31 -1.26 -4.93 118.33 107.71 1xfu n VAL 441 Ca 0.35 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.36 1xfu n VAL 441 Cb 1.24 -0.09 -0.08 0.00 -0.91 0.00 0.00 33.84 34.01 1xfu n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1xfu s TYR 442 N -1.11 3.14 0.20 3.52 4.12 -1.26 0.87 117.35 126.82 1xfu s TYR 442 Ca 0.00 0.08 0.10 0.00 0.02 0.00 0.00 57.07 57.27 1xfu s TYR 442 Cb 0.00 -1.64 -0.04 0.00 -1.52 0.00 0.00 41.96 38.75 1xfu s TYR 442 CO 0.00 0.50 -0.20 -1.21 0.02 0.00 0.00 175.55 174.67 1xfu s GLU 443 N -1.99 1.41 0.01 -0.62 2.02 -0.79 -4.73 118.70 114.01 1xfu s GLU 443 Ca 0.24 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1xfu s GLU 443 Cb -0.12 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.59 1xfu s GLU 443 CO 0.16 0.30 -0.02 -0.06 0.02 0.00 0.00 175.26 175.67 1xfu s PHE 444 N -2.14 0.16 -0.00 1.61 0.40 -1.22 -2.80 117.98 113.99 1xfu s PHE 444 Ca 0.20 -0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1xfu s PHE 444 Cb -0.06 -0.11 -0.00 0.00 0.51 0.00 0.00 43.02 43.36 1xfu s PHE 444 CO 0.09 -0.10 0.05 -0.98 0.70 0.00 0.00 175.22 174.98 1xfu s ARG 445 N -0.78 0.25 -0.16 0.44 1.70 -0.61 0.29 118.95 120.08 1xfu s ARG 445 Ca -0.08 -0.27 0.01 0.00 -0.47 0.00 0.00 55.73 54.92 1xfu s ARG 445 Cb -0.05 0.10 0.01 0.00 -0.57 0.00 0.00 34.95 34.44 1xfu s ARG 445 CO -0.01 -0.05 -0.18 -1.50 -1.08 0.00 0.00 175.30 172.49 1xfu s ILE 446 N -0.82 2.35 1.12 4.99 2.07 -0.52 -1.32 121.20 129.07 1xfu s ILE 446 Ca -0.09 -0.86 -0.16 0.00 -1.41 0.00 0.00 60.65 58.12 1xfu s ILE 446 Cb -0.05 -1.98 0.16 0.00 0.13 0.00 0.00 42.46 40.71 1xfu s ILE 446 CO 0.00 0.53 0.38 -0.24 -1.91 0.00 0.00 174.94 173.69 1xfu n SER 447 N 4.30 -2.10 -0.06 4.50 2.88 -1.07 -2.82 113.62 119.25 1xfu n SER 447 Ca -0.20 -0.09 -0.13 0.00 -1.33 0.00 0.00 58.87 57.12 1xfu n SER 447 Cb 0.51 -1.08 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 1xfu n SER 447 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1xfu n ASP 448 N -2.74 1.32 0.00 -3.46 -0.08 -0.85 -4.25 116.55 106.49 1xfu n ASP 448 Ca 0.02 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1xfu n ASP 448 Cb 0.59 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1xfu n ASP 448 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1xfu n GLU 449 N -3.86 0.00 -4.34 -0.67 2.13 -1.26 -4.17 120.64 108.47 1xfu n GLU 449 Ca -0.23 0.89 -0.33 0.00 0.66 0.00 0.00 57.16 58.15 1xfu n GLU 449 Cb 0.56 -1.41 -0.09 0.00 0.27 0.00 0.00 31.44 30.77 1xfu n GLU 449 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xfu s ASN 450 N -2.96 5.10 -0.02 4.31 4.22 -1.26 -5.01 114.94 119.33 1xfu s ASN 450 Ca 0.00 0.03 0.00 0.00 -2.14 0.00 0.00 52.86 50.75 1xfu s ASN 450 Cb 0.00 -1.36 0.02 0.00 1.28 0.00 0.00 41.25 41.20 1xfu s ASN 450 CO 0.00 0.31 1.39 0.59 -2.04 0.00 0.00 177.10 177.36 1xfu n ASN 451 N 1.67 3.92 -3.21 3.54 4.13 -1.26 -4.26 115.26 119.79 1xfu n ASN 451 Ca -0.16 -2.21 -0.15 0.00 1.68 0.00 0.00 54.58 53.74 1xfu n ASN 451 Cb 0.53 -0.74 0.15 0.00 -1.54 0.00 0.00 39.78 38.18 1xfu n ASN 451 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1xfu n GLU 452 N 0.80 -2.57 -3.89 3.52 1.02 -1.26 -3.39 120.64 114.87 1xfu n GLU 452 Ca 0.02 -0.72 -0.10 0.00 -0.02 0.00 0.00 57.16 56.35 1xfu n GLU 452 Cb 0.53 -1.07 -0.09 0.00 -0.02 0.00 0.00 31.44 30.79 1xfu n GLU 452 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xfu s VAL 453 N -1.59 0.12 0.13 2.62 1.01 -0.89 -2.59 120.40 119.21 1xfu s VAL 453 Ca 0.33 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1xfu s VAL 453 Cb -0.06 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1xfu s VAL 453 CO 0.28 -0.54 0.29 -1.10 0.00 0.00 0.00 175.10 174.02 1xfu s GLN 454 N -2.51 1.05 0.31 2.72 -0.21 -0.44 -0.95 119.66 119.63 1xfu s GLN 454 Ca -0.06 -0.98 -0.06 0.00 0.02 0.00 0.00 55.36 54.29 1xfu s GLN 454 Cb -0.02 0.39 0.00 0.00 1.00 0.00 0.00 33.01 34.39 1xfu s GLN 454 CO -0.04 -0.38 0.47 1.52 -2.12 0.00 0.00 175.29 174.74 1xfu s TYR 455 N -3.89 0.85 -0.06 0.91 -0.00 -0.46 -1.57 117.35 113.14 1xfu s TYR 455 Ca 0.09 -1.14 -0.31 0.00 -0.00 0.00 0.00 57.07 55.72 1xfu s TYR 455 Cb 0.03 0.00 0.11 0.00 -0.00 0.00 0.00 41.96 42.11 1xfu s TYR 455 CO -0.07 -1.10 1.04 -1.59 -0.00 0.00 0.00 175.55 173.84 1xfu s LYS 456 N -3.31 0.63 -0.04 -3.49 -2.85 -1.12 -1.30 119.74 108.27 1xfu s LYS 456 Ca 0.28 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.69 1xfu s LYS 456 Cb -0.00 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1xfu s LYS 456 CO 0.17 -0.28 1.06 0.95 0.10 0.00 0.00 175.35 177.35 1xfu s THR 457 N -2.82 4.61 0.60 3.79 -4.23 0.75 -1.89 115.64 116.44 1xfu s THR 457 Ca 0.08 1.88 -0.18 0.00 -1.18 0.00 0.00 61.69 62.30 1xfu s THR 457 Cb -0.01 -4.21 -0.08 0.00 1.34 0.00 0.00 72.50 69.55 1xfu s THR 457 CO -0.06 0.07 0.50 0.29 -0.54 0.00 0.00 174.62 174.87 1xfu n LYS 458 N 4.54 0.46 0.00 3.99 5.02 0.25 -4.76 118.16 127.67 1xfu n LYS 458 Ca 0.08 0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1xfu n LYS 458 Cb 0.49 -1.70 0.19 0.00 -0.02 0.00 0.00 35.03 33.99 1xfu n LYS 458 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xfu n GLU 459 N -0.11 0.24 -2.35 1.97 1.02 -1.26 -2.42 120.64 117.73 1xfu n GLU 459 Ca 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.23 1xfu n GLU 459 Cb 0.48 -1.43 0.05 0.00 -0.02 0.00 0.00 31.44 30.52 1xfu n GLU 459 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfu n GLY 460 N -0.49 2.43 3.79 0.62 0.00 -1.26 -5.10 105.19 105.19 1xfu n GLY 460 Ca 0.05 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1xfu n GLY 460 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xfu s LYS 461 N -2.99 2.25 0.25 1.61 2.47 -1.02 -5.12 119.74 117.19 1xfu s LYS 461 Ca 0.32 -1.48 -0.03 0.00 -1.56 0.00 0.00 55.97 53.22 1xfu s LYS 461 Cb 0.35 0.62 -0.02 0.00 -1.46 0.00 0.00 37.83 37.31 1xfu s LYS 461 CO -0.06 -1.05 0.28 -1.50 0.16 0.00 0.00 175.35 173.18 1xfu s ILE 462 N -2.25 0.00 0.03 5.43 2.07 -1.26 -4.70 121.20 120.52 1xfu s ILE 462 Ca 0.16 -1.81 -0.21 0.00 -1.41 0.00 0.00 60.65 57.39 1xfu s ILE 462 Cb -0.05 -2.45 -0.06 0.00 0.13 0.00 0.00 42.46 40.04 1xfu s ILE 462 CO 0.12 0.00 0.61 -0.89 -1.91 0.00 0.00 174.94 172.87 1xfu s THR 463 N -3.89 4.83 0.25 4.00 2.01 0.14 -4.94 115.64 118.03 1xfu s THR 463 Ca 0.34 1.30 -0.05 0.00 0.31 0.00 0.00 61.69 63.59 1xfu s THR 463 Cb 0.04 -3.95 0.25 0.00 0.01 0.00 0.00 72.50 68.84 1xfu s THR 463 CO 0.14 0.45 1.67 -0.37 -0.69 0.00 0.00 174.62 175.83 1xfu h VAL 464 N 3.95 0.46 0.00 3.82 -1.51 -1.94 1.21 116.25 122.24 1xfu h VAL 464 Ca -0.46 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1xfu h VAL 464 Cb 1.20 0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1xfu h VAL 464 CO 0.68 0.04 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.99 1xfu h LEU 465 N 0.23 0.00 0.00 4.19 4.07 -1.93 -3.45 115.31 118.41 1xfu h LEU 465 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1xfu h LEU 465 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1xfu h LEU 465 CO -0.55 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.42 1xfu n GLY 466 N -1.09 1.33 3.48 0.83 0.00 0.41 -5.13 105.19 105.02 1xfu n GLY 466 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1xfu n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xfu s GLU 467 N -0.21 1.77 -0.16 1.61 2.02 -1.17 -4.87 118.70 117.68 1xfu s GLU 467 Ca 0.00 -1.18 -0.04 0.00 0.02 0.00 0.00 54.97 53.77 1xfu s GLU 467 Cb 0.00 -2.10 0.07 0.00 0.10 0.00 0.00 34.13 32.20 1xfu s GLU 467 CO 0.00 0.48 0.16 0.21 0.02 0.00 0.00 175.26 176.13 1xfu s LYS 468 N -2.10 0.10 0.04 1.61 2.20 -1.26 0.25 119.74 120.58 1xfu s LYS 468 Ca 0.17 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1xfu s LYS 468 Cb -0.11 -1.20 -0.03 0.00 -1.51 0.00 0.00 37.83 34.99 1xfu s LYS 468 CO 0.10 -0.58 -0.04 -0.59 -0.36 0.00 0.00 175.35 173.88 1xfu s PHE 469 N 2.25 0.44 0.67 4.03 -0.12 -1.26 -4.97 117.98 119.02 1xfu s PHE 469 Ca 0.04 -0.71 -0.06 0.00 -0.05 0.00 0.00 56.93 56.15 1xfu s PHE 469 Cb -0.15 -0.30 0.05 0.00 -0.63 0.00 0.00 43.02 41.99 1xfu s PHE 469 CO -0.09 -0.23 0.99 -0.80 -0.05 0.00 0.00 175.22 175.03 1xfu s ASN 470 N -2.02 5.04 -0.26 1.98 0.01 -1.26 -0.18 114.94 118.26 1xfu s ASN 470 Ca -0.06 0.54 -0.23 0.00 -0.71 0.00 0.00 52.86 52.40 1xfu s ASN 470 Cb -0.04 -1.29 -0.10 0.00 0.41 0.00 0.00 41.25 40.24 1xfu s ASN 470 CO -0.04 -1.45 1.09 0.79 -1.51 0.00 0.00 177.10 175.99 1xfu n TRP 471 N -2.83 0.61 -4.16 2.20 7.02 -1.24 -4.72 117.44 114.32 1xfu n TRP 471 Ca 0.07 0.40 -0.17 0.00 -1.02 0.00 0.00 57.50 56.78 1xfu n TRP 471 Cb 0.60 -1.17 -0.12 0.00 -2.42 0.00 0.00 31.31 28.19 1xfu n TRP 471 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1xfu s ARG 472 N 3.03 0.77 0.70 -0.99 0.52 -0.42 -4.95 118.95 117.61 1xfu s ARG 472 Ca 0.61 -0.92 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 1xfu s ARG 472 Cb -0.77 -0.74 0.02 0.00 0.52 0.00 0.00 34.95 33.98 1xfu s ARG 472 CO 0.34 0.16 1.09 -0.80 0.02 0.00 0.00 175.30 176.12 1xfu s ASN 473 N -1.70 4.99 -0.43 0.23 -0.87 -1.26 -1.35 114.94 114.55 1xfu s ASN 473 Ca -0.03 1.89 -0.17 0.00 -1.57 0.00 0.00 52.86 52.97 1xfu s ASN 473 Cb -0.10 -2.53 0.02 0.00 -0.02 0.00 0.00 41.25 38.62 1xfu s ASN 473 CO 0.02 -1.71 0.44 -0.63 -2.57 0.00 0.00 177.10 172.65 1xfu s ILE 474 N -2.61 5.08 0.24 0.60 1.01 -0.13 -4.80 121.20 120.60 1xfu s ILE 474 Ca 0.64 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 1xfu s ILE 474 Cb -0.18 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1xfu s ILE 474 CO 0.47 -0.45 0.50 -1.61 0.00 0.00 0.00 174.94 173.85 1xfu s GLU 475 N 2.14 3.64 0.20 2.79 8.01 -1.26 0.15 118.70 134.36 1xfu s GLU 475 Ca 0.12 -0.03 0.04 0.00 0.01 0.00 0.00 54.97 55.11 1xfu s GLU 475 Cb -0.17 -2.71 -0.05 0.00 -4.31 0.00 0.00 34.13 26.89 1xfu s GLU 475 CO 0.13 0.30 -0.03 0.14 0.01 0.00 0.00 175.26 175.81 1xfu s VAL 476 N -1.94 1.03 0.39 2.63 -7.23 0.12 -2.28 120.40 113.12 1xfu s VAL 476 Ca 0.43 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 58.32 1xfu s VAL 476 Cb -0.11 -2.18 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 1xfu s VAL 476 CO 0.28 -0.46 1.06 -0.04 -0.31 0.00 0.00 175.10 175.63 1xfu s MET 477 N -3.84 4.20 -0.16 4.82 1.00 -0.91 -1.18 119.30 123.24 1xfu s MET 477 Ca 0.25 1.56 -0.13 0.00 0.00 0.00 0.00 55.69 57.37 1xfu s MET 477 Cb 0.05 -2.62 0.05 0.00 0.00 0.00 0.00 34.83 32.31 1xfu s MET 477 CO 0.06 -0.12 0.42 0.00 0.00 0.00 0.00 175.02 175.39 1xfu s ALA 478 N -1.59 -1.06 0.32 3.03 0.00 0.98 0.05 121.76 123.49 1xfu s ALA 478 Ca 0.56 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.88 1xfu s ALA 478 Cb -0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 1xfu s ALA 478 CO 0.30 -0.22 0.46 -1.59 0.00 0.00 0.00 175.76 174.70 1xfu s LYS 479 N 0.55 3.18 0.51 0.00 -2.85 -0.55 -1.48 119.74 119.10 1xfu s LYS 479 Ca -0.03 -0.94 -0.21 0.00 -1.00 0.00 0.00 55.97 53.79 1xfu s LYS 479 Cb -0.04 -2.82 -0.06 0.00 -2.06 0.00 0.00 37.83 32.84 1xfu s LYS 479 CO -0.03 0.12 1.18 1.21 0.10 0.00 0.00 175.35 177.92 1xfu s ASN 480 N -4.14 5.83 -0.43 0.03 2.47 0.45 -1.82 114.94 117.33 1xfu s ASN 480 Ca 0.43 2.31 0.07 0.00 0.42 0.00 0.00 52.86 56.09 1xfu s ASN 480 Cb -0.09 -2.60 0.18 0.00 -1.45 0.00 0.00 41.25 37.29 1xfu s ASN 480 CO 0.31 -1.15 0.61 -0.69 -3.72 0.00 0.00 177.10 172.46 1xfu s VAL 481 N -1.60 -0.86 -0.85 -5.21 1.01 -1.22 -4.88 120.40 106.80 1xfu s VAL 481 Ca 0.69 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1xfu s VAL 481 Cb -0.28 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 35.96 1xfu s VAL 481 CO 0.33 -0.13 0.74 -0.62 0.00 0.00 0.00 175.10 175.42 1xfu n GLU 482 N 3.95 -4.94 -3.11 2.72 -0.58 -1.26 -3.50 120.64 113.93 1xfu n GLU 482 Ca 0.14 0.54 -0.13 0.00 -0.42 0.00 0.00 57.16 57.29 1xfu n GLU 482 Cb 0.55 -4.70 0.07 0.00 -0.57 0.00 0.00 31.44 26.79 1xfu n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfu n GLY 483 N -1.37 -0.19 3.15 0.62 0.00 -1.26 -5.03 105.19 101.12 1xfu n GLY 483 Ca -0.05 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1xfu n GLY 483 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xfu s VAL 484 N -3.28 -0.88 -0.85 1.61 -7.23 -1.23 -5.09 120.40 103.45 1xfu s VAL 484 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 59.98 1xfu s VAL 484 Cb -0.00 -0.90 -0.21 0.00 0.56 0.00 0.00 36.38 35.82 1xfu s VAL 484 CO 0.57 0.00 2.25 0.18 -0.31 0.00 0.00 175.10 177.79 1xfu n LEU 485 N 5.38 0.48 -4.82 1.32 4.32 -1.26 -3.39 117.00 119.03 1xfu n LEU 485 Ca 0.04 -1.23 -0.38 0.00 -0.02 0.00 0.00 56.01 54.42 1xfu n LEU 485 Cb 0.54 -1.23 -0.06 0.00 -1.62 0.00 0.00 43.42 41.05 1xfu n LEU 485 CO -0.06 -2.25 0.26 -0.54 -1.22 0.00 0.00 177.39 173.57 1xfu s LYS 486 N 8.07 4.14 0.84 3.23 1.02 -0.76 -4.86 119.74 131.44 1xfu s LYS 486 Ca 1.02 0.67 -0.12 0.00 0.02 0.00 0.00 55.97 57.56 1xfu s LYS 486 Cb -0.37 -3.17 0.10 0.00 -0.52 0.00 0.00 37.83 33.88 1xfu s LYS 486 CO 0.25 0.61 1.19 -1.25 -0.92 0.00 0.00 175.35 175.23 1xfu s PRO 487 N -1.30 1.43 -0.02 -1.68 0.04 -1.26 -1.48 135.00 130.72 1xfu s PRO 487 Ca 0.31 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.09 1xfu s PRO 487 Cb -0.18 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1xfu s PRO 487 CO 0.19 -2.36 -0.15 -0.51 0.04 0.00 0.00 177.00 174.21 1xfu s LEU 488 N -5.99 2.71 0.18 -3.56 1.43 0.11 -2.74 118.68 110.82 1xfu s LEU 488 Ca 0.71 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1xfu s LEU 488 Cb -0.27 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1xfu s LEU 488 CO 0.53 0.32 0.09 0.28 0.23 0.00 0.00 176.35 177.80 1xfu s THR 489 N -0.79 0.15 0.50 5.49 -1.32 -0.86 -3.18 115.64 115.64 1xfu s THR 489 Ca 0.13 -1.97 -0.18 0.00 -1.21 0.00 0.00 61.69 58.45 1xfu s THR 489 Cb -0.11 -2.35 -0.14 0.00 -1.51 0.00 0.00 72.50 68.40 1xfu s THR 489 CO 0.02 -0.18 -0.01 0.00 -2.21 0.00 0.00 174.62 172.23 1xfu n ALA 490 N -0.24 -2.78 -2.61 11.08 0.00 -1.26 -1.03 120.51 123.67 1xfu n ALA 490 Ca -0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1xfu n ALA 490 Cb 0.65 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1xfu n ALA 490 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1xfu s ASP 491 N -1.02 4.38 -0.85 0.00 3.84 -1.26 -4.54 116.67 117.22 1xfu s ASP 491 Ca 0.59 -1.52 -0.19 0.00 -0.00 0.00 0.00 52.55 51.44 1xfu s ASP 491 Cb -0.50 0.64 0.13 0.00 -1.38 0.00 0.00 42.92 41.81 1xfu s ASP 491 CO 0.64 -1.05 1.02 -0.31 -0.00 0.00 0.00 175.17 175.46 1xfu s TYR 492 N -2.86 3.14 -0.69 2.11 2.02 0.72 -4.81 117.35 116.97 1xfu s TYR 492 Ca 0.15 -1.33 -0.26 0.00 -0.37 0.00 0.00 57.07 55.26 1xfu s TYR 492 Cb -0.01 -4.20 0.04 0.00 -0.40 0.00 0.00 41.96 37.39 1xfu s TYR 492 CO 0.10 -1.42 1.21 -0.51 -1.57 0.00 0.00 175.55 173.35 1xfu s ASP 493 N 3.45 6.22 0.31 2.29 -0.00 -1.26 -4.54 116.67 123.14 1xfu s ASP 493 Ca 0.27 -0.42 -0.30 0.00 -0.00 0.00 0.00 52.55 52.11 1xfu s ASP 493 Cb -0.09 -2.53 -0.11 0.00 -0.00 0.00 0.00 42.92 40.19 1xfu s ASP 493 CO -0.05 -1.70 1.56 -0.76 -0.00 0.00 0.00 175.17 174.22 1xfu s LEU 494 N 5.30 4.34 0.02 1.23 1.43 -1.26 -1.52 118.68 128.22 1xfu s LEU 494 Ca 0.34 2.95 0.14 0.00 -1.03 0.00 0.00 54.13 56.53 1xfu s LEU 494 Cb -0.09 -3.64 -0.18 0.00 0.03 0.00 0.00 46.19 42.30 1xfu s LEU 494 CO 0.16 -0.89 0.79 0.15 0.23 0.00 0.00 176.35 176.80 1xfu h PHE 495 N 4.48 0.00 -1.36 0.29 3.04 0.12 -2.18 116.94 121.33 1xfu h PHE 495 Ca -0.48 0.00 0.26 0.00 3.98 0.00 0.00 57.97 61.73 1xfu h PHE 495 Cb 1.22 0.00 -0.20 0.00 2.56 0.00 0.00 35.95 39.53 1xfu h PHE 495 CO 0.58 0.82 0.85 0.00 -2.02 0.00 0.00 178.31 178.53 1xfu s ALA 496 N -2.74 -2.10 -0.11 2.41 0.00 -1.00 -3.75 121.76 114.48 1xfu s ALA 496 Ca -0.03 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1xfu s ALA 496 Cb 0.08 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1xfu s ALA 496 CO 0.82 -0.54 -0.10 -0.51 0.00 0.00 0.00 175.76 175.43 1xfu s LEU 497 N -1.99 1.38 -0.79 0.00 1.43 -1.26 -1.49 118.68 115.95 1xfu s LEU 497 Ca 0.09 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1xfu s LEU 497 Cb -0.01 -0.88 0.19 0.00 0.03 0.00 0.00 46.19 45.52 1xfu s LEU 497 CO -0.04 -0.07 0.64 0.00 0.23 0.00 0.00 176.35 177.11 1xfu s ALA 498 N 1.40 4.00 0.52 4.21 0.00 -0.16 -4.86 121.76 126.87 1xfu s ALA 498 Ca -0.00 -3.70 -0.19 0.00 0.00 0.00 0.00 51.96 48.07 1xfu s ALA 498 Cb -0.13 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 1xfu s ALA 498 CO -0.05 -2.13 1.05 -1.25 0.00 0.00 0.00 175.76 173.38 1xfu s PRO 499 N -1.05 3.62 0.39 0.00 0.04 -1.26 -0.24 135.00 136.50 1xfu s PRO 499 Ca 0.24 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.39 1xfu s PRO 499 Cb -0.10 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1xfu s PRO 499 CO -0.11 -0.58 1.00 -1.54 0.04 0.00 0.00 177.00 175.81 1xfu s SER 500 N -2.18 6.94 0.34 6.66 1.04 -0.36 -1.66 113.70 124.47 1xfu s SER 500 Ca 0.67 1.90 0.11 0.00 0.48 0.00 0.00 55.95 59.11 1xfu s SER 500 Cb -0.17 -2.57 0.90 0.00 0.10 0.00 0.00 66.02 64.28 1xfu s SER 500 CO 0.25 -0.36 1.77 -0.07 0.98 0.00 0.00 173.24 175.82 1xfu h LEU 501 N 2.51 0.64 -1.41 2.42 3.38 -1.69 0.42 115.31 121.58 1xfu h LEU 501 Ca -0.48 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1xfu h LEU 501 Cb 1.20 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1xfu h LEU 501 CO 0.63 0.18 0.29 0.71 0.09 0.00 0.00 178.44 180.33 1xfu h THR 502 N 0.59 1.15 0.00 0.22 1.35 -1.91 -0.99 112.91 113.32 1xfu h THR 502 Ca 0.59 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 66.06 1xfu h THR 502 Cb 1.15 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1xfu h THR 502 CO -0.36 0.16 -0.11 -0.08 -0.25 0.00 0.00 175.52 174.88 1xfu h GLU 503 N 0.70 0.00 0.03 4.72 4.57 -0.47 -2.56 114.58 121.57 1xfu h GLU 503 Ca 0.18 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.13 1xfu h GLU 503 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1xfu h GLU 503 CO -0.03 0.11 -1.09 0.82 -1.18 0.00 0.00 179.01 177.64 1xfu h ILE 504 N 0.00 1.63 -0.46 2.32 5.03 -0.98 -3.11 117.51 121.94 1xfu h ILE 504 Ca -0.00 -3.32 -0.01 0.00 -0.12 0.00 0.00 64.86 61.41 1xfu h ILE 504 Cb 0.53 2.85 -0.02 0.00 -3.03 0.00 0.00 36.82 37.15 1xfu h ILE 504 CO 0.01 0.94 0.23 0.50 -0.68 0.00 0.00 178.15 179.15 1xfu h LYS 505 N 0.02 0.63 0.00 2.37 1.63 -1.14 0.23 116.57 120.31 1xfu h LYS 505 Ca -0.05 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 1xfu h LYS 505 Cb 1.82 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 33.32 1xfu h LYS 505 CO 0.14 0.49 -0.17 0.87 -3.45 0.00 0.00 179.45 177.33 1xfu h LYS 506 N 0.64 0.00 0.00 1.90 1.57 -1.51 -1.98 116.57 117.18 1xfu h LYS 506 Ca 0.16 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 1xfu h LYS 506 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1xfu h LYS 506 CO -0.02 0.17 -0.69 0.37 -0.57 0.00 0.00 179.45 178.70 1xfu h GLN 507 N 0.00 0.00 -6.74 3.15 5.75 -0.49 -3.44 115.11 113.34 1xfu h GLN 507 Ca -0.00 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 58.01 1xfu h GLN 507 Cb 0.57 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1xfu h GLN 507 CO 0.02 0.69 0.36 0.42 -2.65 0.00 0.00 178.83 177.67 1xfu s ILE 508 N -3.44 4.06 -0.57 2.39 1.01 -0.75 -5.01 121.20 118.90 1xfu s ILE 508 Ca -0.01 2.05 -0.28 0.00 0.00 0.00 0.00 60.65 62.41 1xfu s ILE 508 Cb 0.12 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.32 1xfu s ILE 508 CO 0.77 0.48 1.18 -2.16 0.00 0.00 0.00 174.94 175.21 1xfu s PRO 509 N -1.11 3.51 0.03 2.79 0.04 -1.26 -4.94 135.00 134.06 1xfu s PRO 509 Ca 0.42 0.23 -0.00 0.00 0.04 0.00 0.00 61.00 61.69 1xfu s PRO 509 Cb -0.26 -4.01 0.07 0.00 0.04 0.00 0.00 34.50 30.33 1xfu s PRO 509 CO 0.32 -1.66 0.16 1.04 0.04 0.00 0.00 177.00 176.91 1xfu n GLN 510 N 8.36 -0.01 0.11 4.56 1.13 -1.26 -0.11 117.38 130.16 1xfu n GLN 510 Ca 0.08 0.15 -0.13 0.00 -1.94 0.00 0.00 57.00 55.17 1xfu n GLN 510 Cb 0.49 -0.24 -0.07 0.00 0.11 0.00 0.00 30.24 30.53 1xfu n GLN 510 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1xfu h LYS 511 N 0.00 -0.25 0.40 -1.09 2.10 -1.99 -1.63 116.57 114.10 1xfu h LYS 511 Ca 0.06 0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 1xfu h LYS 511 Cb 0.11 0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.47 1xfu h LYS 511 CO -0.10 -0.17 -0.49 0.93 -2.00 0.00 0.00 179.45 177.62 1xfu h GLU 512 N -0.26 -0.89 -0.59 0.07 5.08 -0.92 0.69 114.58 117.76 1xfu h GLU 512 Ca -0.01 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1xfu h GLU 512 Cb 0.24 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.59 1xfu h GLU 512 CO -0.01 -0.59 -0.02 2.35 -1.00 0.00 0.00 179.01 179.74 1xfu h TRP 513 N -0.92 -0.08 0.19 4.33 7.01 -1.58 -1.15 115.95 123.74 1xfu h TRP 513 Ca -0.04 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1xfu h TRP 513 Cb 0.83 0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 1xfu h TRP 513 CO -0.30 -0.17 -0.36 -0.44 -2.79 0.00 0.00 178.44 174.38 1xfu h ASP 514 N 0.10 -1.05 0.00 2.65 3.45 -0.79 0.75 116.42 121.52 1xfu h ASP 514 Ca 0.30 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.87 1xfu h ASP 514 Cb 0.49 0.37 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 1xfu h ASP 514 CO -0.52 -0.42 0.55 0.50 -1.57 0.00 0.00 179.24 177.78 1xfu h LYS 515 N -0.60 0.00 0.02 3.56 3.64 0.32 -0.45 116.57 123.07 1xfu h LYS 515 Ca -0.02 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.96 1xfu h LYS 515 Cb 0.56 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1xfu h LYS 515 CO -0.14 0.00 -2.34 0.28 -2.27 0.00 0.00 179.45 174.98 1xfu n VAL 516 N -2.00 1.55 0.18 2.00 0.31 0.14 -4.48 118.33 116.02 1xfu n VAL 516 Ca -0.00 -0.48 0.05 0.00 -0.01 0.00 0.00 64.34 63.90 1xfu n VAL 516 Cb 0.57 -1.66 0.29 0.00 -0.91 0.00 0.00 33.84 32.12 1xfu n VAL 516 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1xfu h VAL 517 N -0.39 0.85 -0.21 2.52 -1.51 0.12 -3.29 116.25 114.34 1xfu h VAL 517 Ca -0.58 -1.63 -0.66 0.00 -1.23 0.00 0.00 66.70 62.60 1xfu h VAL 517 Cb 1.78 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 32.95 1xfu h VAL 517 CO -0.18 0.38 3.38 0.59 -1.23 0.00 0.00 177.57 180.51 1xfu n ASN 518 N -3.46 8.47 -4.37 4.19 5.03 -0.65 -4.84 115.26 119.63 1xfu n ASN 518 Ca 0.00 -2.67 -0.19 0.00 0.87 0.00 0.00 54.58 52.59 1xfu n ASN 518 Cb 0.55 -1.52 -0.10 0.00 -1.02 0.00 0.00 39.78 37.69 1xfu n ASN 518 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1xfu s THR 519 N 1.49 1.79 -0.13 3.41 -1.32 -1.24 -4.96 115.64 114.68 1xfu s THR 519 Ca 0.67 -2.22 -0.10 0.00 -1.21 0.00 0.00 61.69 58.83 1xfu s THR 519 Cb 0.19 -2.15 -0.26 0.00 -1.51 0.00 0.00 72.50 68.78 1xfu s THR 519 CO -0.06 -0.52 0.39 1.55 -2.21 0.00 0.00 174.62 173.76 1xfu h PRO 520 N 2.48 0.24 -6.03 7.08 0.13 -1.92 -3.45 132.00 130.52 1xfu h PRO 520 Ca -0.39 -0.41 -0.51 0.00 -0.87 0.00 0.00 66.00 63.83 1xfu h PRO 520 Cb 1.23 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 1xfu h PRO 520 CO 0.63 1.19 1.33 1.21 -0.23 0.00 0.00 178.00 182.14 1xfu s ASN 521 N -7.04 5.37 0.42 1.44 3.84 -1.26 -4.84 114.94 112.87 1xfu s ASN 521 Ca -0.23 0.42 0.21 0.00 0.21 0.00 0.00 52.86 53.47 1xfu s ASN 521 Cb 0.06 -2.53 1.18 0.00 -0.55 0.00 0.00 41.25 39.41 1xfu s ASN 521 CO 0.75 -2.28 1.77 0.28 -2.79 0.00 0.00 177.10 174.82 1xfu h SER 522 N 14.55 0.38 0.19 -4.21 0.02 -2.00 0.22 113.55 122.70 1xfu h SER 522 Ca -0.27 0.08 -0.34 0.00 -0.84 0.00 0.00 61.79 60.42 1xfu h SER 522 Cb 1.16 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.73 1xfu h SER 522 CO 1.20 0.06 -1.66 0.25 -1.14 0.00 0.00 176.83 175.54 1xfu h LEU 523 N 0.32 0.62 -1.41 5.07 5.85 -2.00 -3.24 115.31 120.52 1xfu h LEU 523 Ca 0.60 -0.93 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1xfu h LEU 523 Cb 1.66 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1xfu h LEU 523 CO -0.27 1.76 0.15 -0.08 -0.34 0.00 0.00 178.44 179.65 1xfu h GLU 524 N 0.06 0.54 0.12 1.25 4.81 -1.67 -2.00 114.58 117.69 1xfu h GLU 524 Ca -0.33 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1xfu h GLU 524 Cb 2.06 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 31.29 1xfu h GLU 524 CO 0.18 0.46 -0.51 -0.22 -0.73 0.00 0.00 179.01 178.19 1xfu h LYS 525 N 0.54 -0.71 -0.51 1.92 3.64 -0.68 1.70 116.57 122.47 1xfu h LYS 525 Ca 0.13 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 1xfu h LYS 525 Cb 0.12 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 1xfu h LYS 525 CO -0.01 -0.47 -0.16 0.37 -2.27 0.00 0.00 179.45 176.90 1xfu h GLN 526 N -0.74 -0.04 0.64 1.90 4.15 -1.46 0.33 115.11 119.89 1xfu h GLN 526 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1xfu h GLN 526 Cb 0.75 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1xfu h GLN 526 CO -0.28 -0.03 -0.48 -0.22 -1.93 0.00 0.00 178.83 175.90 1xfu h LYS 527 N -0.04 -1.04 -1.24 1.69 3.64 -0.51 0.19 116.57 119.26 1xfu h LYS 527 Ca 0.25 0.07 0.36 0.00 -1.27 0.00 0.00 60.65 60.06 1xfu h LYS 527 Cb 0.42 0.24 -0.09 0.00 -0.41 0.00 0.00 32.23 32.38 1xfu h LYS 527 CO -0.55 -0.69 0.83 0.78 -2.27 0.00 0.00 179.45 177.55 1xfu h GLY 528 N -1.08 0.87 0.23 5.01 0.00 0.40 -1.17 103.07 107.33 1xfu h GLY 528 Ca -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1xfu h GLY 528 CO 0.03 -0.18 -0.08 -2.08 0.00 0.00 0.00 176.54 174.23 1xfu h VAL 529 N 0.17 0.41 -0.74 4.60 2.07 0.73 -2.91 116.25 120.59 1xfu h VAL 529 Ca 0.69 -1.04 0.17 0.00 0.82 0.00 0.00 66.70 67.33 1xfu h VAL 529 Cb 2.20 0.73 -0.12 0.00 -1.52 0.00 0.00 31.29 32.59 1xfu h VAL 529 CO -0.25 0.12 0.14 0.74 0.02 0.00 0.00 177.57 178.35 1xfu h THR 530 N -1.00 0.46 -0.91 2.57 2.02 0.19 0.76 112.91 117.00 1xfu h THR 530 Ca -0.02 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1xfu h THR 530 Cb 0.37 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1xfu h THR 530 CO 0.04 0.04 0.56 0.78 0.37 0.00 0.00 175.52 177.30 1xfu h ASN 531 N 0.22 1.09 -0.21 4.18 2.35 -1.37 0.76 115.58 122.61 1xfu h ASN 531 Ca 0.42 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1xfu h ASN 531 Cb 0.74 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1xfu h ASN 531 CO -0.55 0.83 0.12 -0.07 -1.65 0.00 0.00 177.43 176.11 1xfu h LEU 532 N 1.25 0.26 -1.47 1.61 3.38 0.50 1.45 115.31 122.29 1xfu h LEU 532 Ca 0.33 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1xfu h LEU 532 Cb -0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1xfu h LEU 532 CO -0.06 0.24 -0.27 0.25 0.09 0.00 0.00 178.44 178.69 1xfu h LEU 533 N 0.25 0.00 0.22 1.67 7.12 0.39 -0.52 115.31 124.44 1xfu h LEU 533 Ca 0.07 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 1xfu h LEU 533 Cb 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1xfu h LEU 533 CO -0.01 0.27 -0.11 0.40 -0.13 0.00 0.00 178.44 178.86 1xfu h ILE 534 N 0.00 0.26 -0.08 4.05 2.04 0.14 -2.70 117.51 121.22 1xfu h ILE 534 Ca -0.00 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1xfu h ILE 534 Cb 0.54 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1xfu h ILE 534 CO 0.03 0.07 -0.13 0.50 0.00 0.00 0.00 178.15 178.63 1xfu h LYS 535 N -1.04 -0.10 -0.10 2.37 3.11 0.21 -0.47 116.57 120.56 1xfu h LYS 535 Ca -0.03 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1xfu h LYS 535 Cb 0.35 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 1xfu h LYS 535 CO 0.05 -0.07 0.00 0.66 -2.81 0.00 0.00 179.45 177.28 1xfu n TYR 536 N -3.29 0.13 0.00 1.91 4.01 -0.22 -4.20 117.16 115.50 1xfu n TYR 536 Ca -0.01 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1xfu n TYR 536 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1xfu n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xfu n GLY 537 N 0.76 0.01 0.03 2.72 0.00 -1.04 -4.83 105.19 102.85 1xfu n GLY 537 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1xfu n GLY 537 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xfu n ILE 538 N -0.68 0.38 -2.34 -0.61 5.41 -0.33 -5.00 119.36 116.20 1xfu n ILE 538 Ca 0.00 -0.54 -0.41 0.00 1.00 0.00 0.00 62.75 62.80 1xfu n ILE 538 Cb 0.00 -0.12 -0.03 0.00 -0.71 0.00 0.00 39.64 38.77 1xfu n ILE 538 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xfu s GLU 539 N -3.04 4.48 -0.19 0.38 2.12 -0.36 -5.00 118.70 117.09 1xfu s GLU 539 Ca -0.08 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.19 1xfu s GLU 539 Cb 0.10 -3.21 0.04 0.00 0.26 0.00 0.00 34.13 31.32 1xfu s GLU 539 CO 0.77 -0.08 -0.08 1.03 -0.54 0.00 0.00 175.26 176.36 1xfu s ARG 540 N -0.52 1.78 0.19 4.30 0.52 -1.26 -4.40 118.95 119.55 1xfu s ARG 540 Ca 0.52 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 1xfu s ARG 540 Cb -0.34 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1xfu s ARG 540 CO 0.39 -0.45 0.27 0.15 0.02 0.00 0.00 175.30 175.68 1xfu s LYS 541 N 1.48 3.30 0.40 3.54 -0.14 -1.20 -4.84 119.74 122.27 1xfu s LYS 541 Ca -0.01 -0.74 -0.13 0.00 -1.36 0.00 0.00 55.97 53.74 1xfu s LYS 541 Cb -0.16 -2.85 -0.07 0.00 -1.68 0.00 0.00 37.83 33.07 1xfu s LYS 541 CO -0.08 0.48 0.79 -1.25 -0.76 0.00 0.00 175.35 174.53 1xfu s PRO 542 N -3.50 3.86 0.02 -1.68 0.04 -1.26 -2.60 135.00 129.89 1xfu s PRO 542 Ca 0.34 0.59 0.06 0.00 0.04 0.00 0.00 61.00 62.02 1xfu s PRO 542 Cb -0.10 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1xfu s PRO 542 CO 0.27 -0.02 -0.17 0.34 0.04 0.00 0.00 177.00 177.47 1xfu s ASP 543 N -2.91 1.96 0.21 6.66 -1.08 0.55 -4.94 116.67 117.12 1xfu s ASP 543 Ca 0.53 -0.42 -0.09 0.00 -0.52 0.00 0.00 52.55 52.05 1xfu s ASP 543 Cb -0.10 -0.17 0.20 0.00 -1.46 0.00 0.00 42.92 41.39 1xfu s ASP 543 CO 0.28 0.13 1.86 0.77 0.52 0.00 0.00 175.17 178.72 1xfu h SER 544 N 5.20 0.80 0.00 -0.34 4.64 -1.98 -3.24 113.55 118.62 1xfu h SER 544 Ca -0.38 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1xfu h SER 544 Cb 1.17 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1xfu h SER 544 CO 0.45 0.56 -0.11 0.71 -0.87 0.00 0.00 176.83 177.57 1xfu h THR 545 N 0.95 0.00 -0.58 2.95 1.35 -2.00 -3.42 112.91 112.16 1xfu h THR 545 Ca 0.30 -0.62 -0.36 0.00 -0.55 0.00 0.00 66.41 65.17 1xfu h THR 545 Cb -0.01 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 66.24 1xfu h THR 545 CO -0.10 0.00 0.47 0.29 -0.25 0.00 0.00 175.52 175.93 1xfu n LYS 546 N -3.72 1.89 0.00 4.72 5.02 -1.26 -4.89 118.16 119.93 1xfu n LYS 546 Ca -0.02 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 1xfu n LYS 546 Cb 0.06 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1xfu n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfu n GLY 547 N -0.07 0.94 3.59 0.72 0.00 -1.22 -2.44 105.19 106.71 1xfu n GLY 547 Ca 0.36 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1xfu n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfu s THR 548 N 0.00 4.53 0.04 2.61 2.01 -1.26 -0.33 115.64 123.24 1xfu s THR 548 Ca 0.00 -0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 1xfu s THR 548 Cb 0.00 -3.03 0.09 0.00 0.01 0.00 0.00 72.50 69.57 1xfu s THR 548 CO 0.00 0.46 0.90 -1.48 -0.69 0.00 0.00 174.62 173.81 1xfu s LEU 549 N 0.44 -0.32 1.11 4.42 2.34 -1.07 -4.35 118.68 121.25 1xfu s LEU 549 Ca 0.01 -0.10 -0.17 0.00 0.06 0.00 0.00 54.13 53.93 1xfu s LEU 549 Cb -0.13 2.07 0.25 0.00 -0.56 0.00 0.00 46.19 47.82 1xfu s LEU 549 CO 0.01 -0.70 1.15 -0.55 -1.06 0.00 0.00 176.35 175.21 1xfu s SER 550 N -2.61 1.75 -0.10 1.48 0.15 -1.26 -3.27 113.70 109.84 1xfu s SER 550 Ca 0.07 0.63 -0.26 0.00 0.70 0.00 0.00 55.95 57.09 1xfu s SER 550 Cb -0.01 -0.91 -0.28 0.00 -1.71 0.00 0.00 66.02 63.11 1xfu s SER 550 CO -0.06 -3.61 0.82 0.78 1.20 0.00 0.00 173.24 172.36 1xfu h ASN 551 N -2.23 0.18 -0.48 5.45 -0.26 -1.94 -3.07 115.58 113.23 1xfu h ASN 551 Ca -0.46 -0.98 -0.03 0.00 -0.56 0.00 0.00 56.30 54.26 1xfu h ASN 551 Cb 1.29 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 38.47 1xfu h ASN 551 CO 0.40 1.16 0.16 4.11 -1.06 0.00 0.00 177.43 182.20 1xfu h TRP 552 N -0.75 0.76 -1.24 1.19 5.08 -1.94 0.11 115.95 119.16 1xfu h TRP 552 Ca -0.06 -0.07 0.40 0.00 1.08 0.00 0.00 58.89 60.25 1xfu h TRP 552 Cb 1.26 -0.22 -0.13 0.00 -3.00 0.00 0.00 29.16 27.06 1xfu h TRP 552 CO 0.25 0.66 0.78 1.96 -1.28 0.00 0.00 178.44 180.81 1xfu h GLN 553 N 0.64 0.13 0.03 0.12 4.20 -1.94 0.58 115.11 118.87 1xfu h GLN 553 Ca 0.16 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xfu h GLN 553 Cb 0.24 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1xfu h GLN 553 CO -0.01 0.09 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.01 1xfu h LYS 554 N 0.14 -0.03 -0.14 1.46 3.64 -0.77 -0.34 116.57 120.53 1xfu h LYS 554 Ca 0.79 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 60.22 1xfu h LYS 554 Cb 2.34 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 34.11 1xfu h LYS 554 CO -0.44 0.68 -0.32 -0.56 -2.27 0.00 0.00 179.45 176.54 1xfu h GLN 555 N -0.88 -0.37 -0.23 1.90 3.07 0.11 1.33 115.11 120.05 1xfu h GLN 555 Ca -0.00 0.03 0.07 0.00 0.09 0.00 0.00 58.65 58.83 1xfu h GLN 555 Cb 0.73 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.37 1xfu h GLN 555 CO 0.01 -0.25 0.23 1.98 0.09 0.00 0.00 178.83 180.89 1xfu h MET 556 N -0.38 0.00 -0.27 0.06 4.05 -0.13 -0.33 114.93 117.93 1xfu h MET 556 Ca 0.10 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.34 1xfu h MET 556 Cb 0.54 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1xfu h MET 556 CO -0.36 0.00 -0.54 1.25 0.23 0.00 0.00 176.91 177.49 1xfu h LEU 557 N 0.00 0.90 0.04 3.39 5.85 0.34 -2.32 115.31 123.51 1xfu h LEU 557 Ca 0.11 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1xfu h LEU 557 Cb 0.56 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1xfu h LEU 557 CO -0.00 1.27 -0.02 0.44 -0.34 0.00 0.00 178.44 179.79 1xfu h ASP 558 N 0.63 -0.04 -0.77 1.25 3.32 0.82 -3.02 116.42 118.60 1xfu h ASP 558 Ca 0.01 -0.52 0.22 0.00 0.02 0.00 0.00 57.03 56.77 1xfu h ASP 558 Cb 1.14 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1xfu h ASP 558 CO 0.12 0.51 0.64 0.03 -1.72 0.00 0.00 179.24 178.81 1xfu h ARG 559 N -0.61 0.00 0.29 3.56 2.47 -1.28 0.27 114.38 119.08 1xfu h ARG 559 Ca -0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1xfu h ARG 559 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1xfu h ARG 559 CO 0.01 0.00 -0.14 -0.07 0.56 0.00 0.00 179.97 180.33 1xfu h LEU 560 N 0.00 -0.33 0.22 3.04 3.38 -1.30 -2.22 115.31 118.09 1xfu h LEU 560 Ca 0.37 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1xfu h LEU 560 Cb 1.64 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1xfu h LEU 560 CO -0.00 0.08 -0.10 0.78 0.09 0.00 0.00 178.44 179.28 1xfu h ASN 561 N -0.83 -0.25 -0.47 -0.43 2.35 -0.81 -1.69 115.58 113.46 1xfu h ASN 561 Ca -0.04 -0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1xfu h ASN 561 Cb 0.52 0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.85 1xfu h ASN 561 CO 0.07 -0.16 -0.31 -0.08 -1.65 0.00 0.00 177.43 175.30 1xfu h GLU 562 N -0.32 -0.19 -0.79 0.81 4.81 -0.70 0.33 114.58 118.53 1xfu h GLU 562 Ca -0.03 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.37 1xfu h GLU 562 Cb 0.24 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.56 1xfu h GLU 562 CO 0.05 -0.13 0.32 0.00 -0.73 0.00 0.00 179.01 178.52 1xfu h ALA 563 N 0.92 1.15 -0.15 2.92 0.00 -1.08 0.46 119.26 123.47 1xfu h ALA 563 Ca 0.20 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xfu h ALA 563 Cb 0.53 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xfu h ALA 563 CO -0.59 -0.24 0.00 1.33 0.00 0.00 0.00 179.25 179.76 1xfu n VAL 564 N -5.02 0.22 -0.00 0.00 0.24 0.94 -3.37 118.33 111.34 1xfu n VAL 564 Ca 0.16 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1xfu n VAL 564 Cb 0.47 0.06 -0.01 0.00 -1.47 0.00 0.00 33.84 32.89 1xfu n VAL 564 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1xfu n LYS 565 N -0.05 1.06 -0.24 7.34 4.81 0.13 -3.40 118.16 127.81 1xfu n LYS 565 Ca 0.05 -0.01 0.02 0.00 -0.87 0.00 0.00 58.31 57.51 1xfu n LYS 565 Cb 0.15 -1.03 0.12 0.00 0.02 0.00 0.00 35.03 34.29 1xfu n LYS 565 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xfu n TYR 566 N -1.68 0.57 -0.03 5.64 0.53 0.49 -3.24 117.16 119.43 1xfu n TYR 566 Ca -0.01 -0.21 -0.08 0.00 -1.02 0.00 0.00 57.90 56.58 1xfu n TYR 566 Cb 0.17 -0.18 -0.03 0.00 -1.03 0.00 0.00 39.34 38.27 1xfu n TYR 566 CO 0.00 0.00 0.00 -2.37 -1.02 0.00 0.00 176.86 173.47 1xfu n THR 567 N 0.19 0.98 0.00 -0.72 5.66 -1.25 -5.04 114.28 114.10 1xfu n THR 567 Ca 0.08 0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 1xfu n THR 567 Cb 0.46 -1.78 0.00 0.00 -1.55 0.00 0.00 70.33 67.47 1xfu n THR 567 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xfu n GLY 568 N 2.45 0.00 3.75 1.09 0.00 -1.20 -5.15 105.19 106.14 1xfu n GLY 568 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1xfu n GLY 568 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xfu s TYR 569 N 0.00 3.81 -0.09 1.61 5.04 -1.22 -4.96 117.35 121.54 1xfu s TYR 569 Ca 0.00 1.60 0.14 0.00 -2.44 0.00 0.00 57.07 56.36 1xfu s TYR 569 Cb 0.00 -2.86 0.21 0.00 0.35 0.00 0.00 41.96 39.66 1xfu s TYR 569 CO 0.00 0.34 1.10 0.25 -1.34 0.00 0.00 175.55 175.90 1xfu n THR 570 N 2.41 1.38 -0.00 4.34 -2.24 -1.26 -4.68 114.28 114.22 1xfu n THR 570 Ca -0.02 -1.65 0.12 0.00 -2.27 0.00 0.00 64.05 60.22 1xfu n THR 570 Cb 0.49 -0.02 0.27 0.00 -2.10 0.00 0.00 70.33 68.98 1xfu n THR 570 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xfu n GLY 571 N -1.04 2.07 0.25 3.38 0.00 -1.23 -4.95 105.19 103.67 1xfu n GLY 571 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1xfu n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfu n GLY 572 N 1.59 0.95 3.66 -0.02 0.00 -1.26 -4.24 105.19 105.87 1xfu n GLY 572 Ca 0.22 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1xfu n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xfu s ASP 573 N -4.00 4.99 -0.01 1.61 -0.00 -1.26 -4.92 116.67 113.08 1xfu s ASP 573 Ca 0.00 -0.07 0.11 0.00 -0.00 0.00 0.00 52.55 52.58 1xfu s ASP 573 Cb 0.00 -1.25 -0.14 0.00 -0.00 0.00 0.00 42.92 41.53 1xfu s ASP 573 CO 0.00 0.26 0.37 0.55 -0.00 0.00 0.00 175.17 176.35 1xfu n VAL 574 N 1.27 0.00 -3.95 -1.27 3.14 -1.26 -4.25 118.33 112.01 1xfu n VAL 574 Ca -0.14 -0.25 -0.31 0.00 -2.96 0.00 0.00 64.34 60.68 1xfu n VAL 574 Cb 0.52 0.70 -0.15 0.00 -1.06 0.00 0.00 33.84 33.85 1xfu n VAL 574 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1xfu s VAL 575 N -2.31 1.84 -0.17 1.55 1.01 -1.26 -0.20 120.40 120.87 1xfu s VAL 575 Ca 0.01 -1.86 -0.19 0.00 0.00 0.00 0.00 61.98 59.94 1xfu s VAL 575 Cb 0.08 -2.27 -0.16 0.00 0.00 0.00 0.00 36.38 34.03 1xfu s VAL 575 CO 0.45 -0.45 0.27 0.78 0.00 0.00 0.00 175.10 176.15 1xfu h ASN 576 N 7.79 0.00 -3.83 3.32 -0.26 -1.87 -3.48 115.58 117.25 1xfu h ASN 576 Ca -0.10 -0.50 -0.04 0.00 -0.56 0.00 0.00 56.30 55.09 1xfu h ASN 576 Cb 1.03 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.29 1xfu h ASN 576 CO 0.48 1.13 -0.02 0.00 -1.06 0.00 0.00 177.43 177.97 1xfu n HIS 577 N -4.55 -1.86 -1.22 1.19 1.44 -1.26 -4.62 115.22 104.34 1xfu n HIS 577 Ca -0.19 -0.18 -0.07 0.00 -2.01 0.00 0.00 57.72 55.27 1xfu n HIS 577 Cb 0.49 -0.04 0.05 0.00 0.12 0.00 0.00 29.99 30.61 1xfu n HIS 577 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xfu n GLY 578 N 4.47 -1.25 3.71 -1.39 0.00 -1.02 -4.82 105.19 104.88 1xfu n GLY 578 Ca 0.00 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1xfu n GLY 578 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xfu s THR 579 N -1.72 4.92 -0.08 2.61 -4.23 -1.26 -4.58 115.64 111.29 1xfu s THR 579 Ca 0.19 1.89 0.00 0.00 -1.18 0.00 0.00 61.69 62.59 1xfu s THR 579 Cb -0.01 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.59 1xfu s THR 579 CO 0.13 0.18 0.41 1.21 -0.54 0.00 0.00 174.62 176.02 1xfu n GLU 580 N 3.91 0.00 0.00 3.99 4.07 -0.82 0.54 120.64 132.33 1xfu n GLU 580 Ca 0.04 0.03 0.14 0.00 -0.06 0.00 0.00 57.16 57.31 1xfu n GLU 580 Cb 0.51 -1.86 0.80 0.00 -0.06 0.00 0.00 31.44 30.83 1xfu n GLU 580 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1xfu n GLN 581 N -0.91 0.65 0.00 5.31 1.13 -1.25 -2.61 117.38 119.70 1xfu n GLN 581 Ca 0.00 0.01 0.02 0.00 -1.94 0.00 0.00 57.00 55.09 1xfu n GLN 581 Cb 0.36 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1xfu n GLN 581 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xfu n ASP 582 N -1.15 0.84 -3.58 1.08 8.00 0.19 -3.22 116.55 118.70 1xfu n ASP 582 Ca 0.18 -0.92 -0.40 0.00 0.71 0.00 0.00 54.79 54.36 1xfu n ASP 582 Cb 0.17 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1xfu n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xfu n ASN 583 N -0.30 4.09 0.17 -2.24 5.15 -1.07 -4.53 115.26 116.53 1xfu n ASN 583 Ca 0.01 -2.70 0.02 0.00 -0.60 0.00 0.00 54.58 51.32 1xfu n ASN 583 Cb 0.07 -1.40 0.32 0.00 -0.53 0.00 0.00 39.78 38.24 1xfu n ASN 583 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1xfu h GLU 584 N 6.57 0.00 0.04 1.20 5.08 -1.86 -2.44 114.58 123.17 1xfu h GLU 584 Ca 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1xfu h GLU 584 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1xfu h GLU 584 CO 1.86 0.43 -0.02 0.93 -1.00 0.00 0.00 179.01 181.21 1xfu h GLU 585 N 0.00 -0.06 -1.79 2.33 5.08 -1.99 -3.40 114.58 114.75 1xfu h GLU 585 Ca -0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1xfu h GLU 585 Cb 0.77 0.01 -0.39 0.00 0.50 0.00 0.00 28.75 29.65 1xfu h GLU 585 CO 0.06 0.32 -0.36 1.19 -1.00 0.00 0.00 179.01 179.22 1xfu n PHE 586 N -4.77 3.46 -1.66 4.33 3.01 -1.25 -2.99 117.46 117.60 1xfu n PHE 586 Ca -0.04 -3.16 -0.38 0.00 1.01 0.00 0.00 57.45 54.87 1xfu n PHE 586 Cb 0.19 -0.39 0.05 0.00 -0.01 0.00 0.00 39.48 39.33 1xfu n PHE 586 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xfu n PRO 587 N -0.42 1.13 -4.12 -1.08 -0.04 -0.92 -5.00 135.00 124.55 1xfu n PRO 587 Ca 0.40 0.43 -0.16 0.00 -0.04 0.00 0.00 63.50 64.13 1xfu n PRO 587 Cb 0.52 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.56 1xfu n PRO 587 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xfu s GLU 588 N -2.84 0.69 -0.34 0.54 2.02 -1.26 -4.97 118.70 112.53 1xfu s GLU 588 Ca 0.75 -0.88 -0.10 0.00 0.02 0.00 0.00 54.97 54.76 1xfu s GLU 588 Cb -0.42 -0.55 0.01 0.00 0.10 0.00 0.00 34.13 33.27 1xfu s GLU 588 CO 0.47 0.11 0.18 0.21 0.02 0.00 0.00 175.26 176.25 1xfu s LYS 589 N -1.76 3.06 -0.15 1.61 2.20 -1.26 -5.07 119.74 118.36 1xfu s LYS 589 Ca -0.05 -0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1xfu s LYS 589 Cb -0.09 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1xfu s LYS 589 CO 0.01 -0.57 -0.05 -0.51 -0.36 0.00 0.00 175.35 173.87 1xfu s ASP 590 N 1.58 4.65 0.00 1.43 1.01 -1.26 -5.03 116.67 119.04 1xfu s ASP 590 Ca 0.03 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.12 1xfu s ASP 590 Cb -0.18 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.00 1xfu s ASP 590 CO 0.06 0.16 0.83 0.59 0.21 0.00 0.00 175.17 177.03 1xfu n ASN 591 N 3.58 0.00 -4.72 0.27 3.02 -1.26 -4.58 115.26 111.56 1xfu n ASN 591 Ca -0.17 0.83 -0.42 0.00 -0.03 0.00 0.00 54.58 54.79 1xfu n ASN 591 Cb 0.52 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1xfu n ASN 591 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xfu s GLU 592 N -2.33 4.53 -0.09 3.52 2.02 -1.26 -3.93 118.70 121.16 1xfu s GLU 592 Ca 0.00 1.67 -0.01 0.00 0.02 0.00 0.00 54.97 56.65 1xfu s GLU 592 Cb 0.00 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.91 1xfu s GLU 592 CO 0.00 -0.08 -0.04 0.42 0.02 0.00 0.00 175.26 175.59 1xfu s ILE 593 N 0.54 0.68 0.02 -1.63 -1.09 -1.25 -4.46 121.20 114.01 1xfu s ILE 593 Ca 0.54 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.57 1xfu s ILE 593 Cb -0.27 -0.76 -0.04 0.00 -1.58 0.00 0.00 42.46 39.81 1xfu s ILE 593 CO 0.31 0.31 1.01 0.12 -1.23 0.00 0.00 174.94 175.46 1xfu s PHE 594 N 1.76 3.64 -0.00 3.97 5.36 -0.98 -2.08 117.98 129.65 1xfu s PHE 594 Ca 0.04 1.65 0.04 0.00 -0.96 0.00 0.00 56.93 57.69 1xfu s PHE 594 Cb -0.13 -3.16 -0.01 0.00 -0.34 0.00 0.00 43.02 39.38 1xfu s PHE 594 CO -0.06 -0.18 -0.12 0.42 -1.46 0.00 0.00 175.22 173.81 1xfu s ILE 595 N 0.95 0.98 -0.33 3.12 1.01 0.28 -0.84 121.20 126.36 1xfu s ILE 595 Ca 0.53 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1xfu s ILE 595 Cb -0.22 -0.83 0.09 0.00 0.01 0.00 0.00 42.46 41.51 1xfu s ILE 595 CO 0.28 0.23 0.04 -0.63 0.00 0.00 0.00 174.94 174.86 1xfu s ILE 596 N -0.37 2.45 1.07 2.92 1.01 0.03 -0.72 121.20 127.57 1xfu s ILE 596 Ca 0.04 -2.13 -0.15 0.00 0.00 0.00 0.00 60.65 58.42 1xfu s ILE 596 Cb -0.05 -2.70 0.14 0.00 0.01 0.00 0.00 42.46 39.86 1xfu s ILE 596 CO -0.00 -0.48 0.49 -0.46 0.00 0.00 0.00 174.94 174.49 1xfu n ASN 597 N 4.35 -1.81 0.01 3.58 0.23 -1.01 -2.74 115.26 117.86 1xfu n ASN 597 Ca -0.01 0.05 0.01 0.00 -0.53 0.00 0.00 54.58 54.09 1xfu n ASN 597 Cb 0.42 -1.16 0.05 0.00 -2.08 0.00 0.00 39.78 37.01 1xfu n ASN 597 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1xfu n PRO 598 N -2.97 0.01 -0.03 -0.53 -0.04 -1.26 -2.71 135.00 127.47 1xfu n PRO 598 Ca 0.04 0.48 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 1xfu n PRO 598 Cb 0.57 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1xfu n PRO 598 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xfu n GLU 599 N -1.53 1.94 0.00 0.54 1.02 -1.26 -2.55 120.64 118.80 1xfu n GLU 599 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1xfu n GLU 599 Cb 0.02 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1xfu n GLU 599 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfu n GLY 600 N 2.36 2.17 3.62 0.62 0.00 -1.10 -4.79 105.19 108.06 1xfu n GLY 600 Ca -0.09 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 1xfu n GLY 600 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xfu n GLU 601 N 0.00 1.52 -3.74 1.61 1.02 -1.26 -4.71 120.64 115.08 1xfu n GLU 601 Ca 0.00 0.54 -0.32 0.00 -0.02 0.00 0.00 57.16 57.35 1xfu n GLU 601 Cb 0.00 -1.98 -0.05 0.00 -0.02 0.00 0.00 31.44 29.39 1xfu n GLU 601 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1xfu s PHE 602 N -1.11 3.51 -0.01 -0.32 2.99 -1.26 -2.42 117.98 119.36 1xfu s PHE 602 Ca 0.59 0.50 -0.14 0.00 0.00 0.00 0.00 56.93 57.88 1xfu s PHE 602 Cb -0.65 -1.95 0.02 0.00 0.00 0.00 0.00 43.02 40.44 1xfu s PHE 602 CO 0.60 0.51 0.28 0.42 -0.00 0.00 0.00 175.22 177.03 1xfu s ILE 603 N -1.54 0.06 -0.34 0.64 1.01 0.10 -2.33 121.20 118.79 1xfu s ILE 603 Ca 0.37 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1xfu s ILE 603 Cb -0.13 -0.60 0.14 0.00 0.01 0.00 0.00 42.46 41.89 1xfu s ILE 603 CO 0.24 -0.28 0.29 -0.22 0.00 0.00 0.00 174.94 174.96 1xfu s LEU 604 N -1.36 0.24 1.10 2.97 2.96 -1.13 0.98 118.68 124.45 1xfu s LEU 604 Ca -0.14 -1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 52.06 1xfu s LEU 604 Cb -0.05 0.19 0.15 0.00 0.50 0.00 0.00 46.19 46.98 1xfu s LEU 604 CO 0.04 -0.32 0.15 0.35 -1.32 0.00 0.00 176.35 175.25 1xfu n THR 605 N 4.52 0.00 0.00 3.68 -2.24 -0.88 -4.63 114.28 114.72 1xfu n THR 605 Ca 0.07 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1xfu n THR 605 Cb 0.43 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1xfu n THR 605 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xfu n LYS 606 N -2.15 2.36 -4.28 -0.78 5.02 -1.26 -3.76 118.16 113.31 1xfu n LYS 606 Ca 0.03 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 1xfu n LYS 606 Cb 0.52 -0.92 -0.11 0.00 -0.02 0.00 0.00 35.03 34.49 1xfu n LYS 606 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xfu s ASN 607 N -2.27 2.30 0.50 4.39 0.01 -1.25 -4.06 114.94 114.56 1xfu s ASN 607 Ca 0.00 -0.79 0.23 0.00 -0.71 0.00 0.00 52.86 51.59 1xfu s ASN 607 Cb 0.00 -0.11 1.30 0.00 0.41 0.00 0.00 41.25 42.85 1xfu s ASN 607 CO 0.00 -0.07 1.97 -0.25 -1.51 0.00 0.00 177.10 177.25 1xfu h TRP 608 N 3.59 0.13 0.22 2.20 2.91 -1.81 0.10 115.95 123.29 1xfu h TRP 608 Ca -0.42 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.59 1xfu h TRP 608 Cb 1.20 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.81 1xfu h TRP 608 CO 0.65 0.05 -0.10 0.93 -1.03 0.00 0.00 178.44 178.94 1xfu h GLU 609 N 0.12 -0.28 -0.91 2.65 3.07 -1.94 -1.63 114.58 115.65 1xfu h GLU 609 Ca 0.29 0.02 0.26 0.00 -0.50 0.00 0.00 59.36 59.43 1xfu h GLU 609 Cb 0.98 0.06 -0.15 0.00 -0.84 0.00 0.00 28.75 28.80 1xfu h GLU 609 CO -0.03 -0.19 0.23 1.98 -1.40 0.00 0.00 179.01 179.60 1xfu h MET 610 N -1.07 0.15 0.19 2.33 4.05 -1.75 3.79 114.93 122.63 1xfu h MET 610 Ca -0.03 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1xfu h MET 610 Cb 0.22 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1xfu h MET 610 CO 0.05 0.10 -0.18 1.15 0.23 0.00 0.00 176.91 178.26 1xfu h THR 611 N 0.16 0.61 -0.24 -0.77 2.02 -0.89 2.50 112.91 116.30 1xfu h THR 611 Ca 0.59 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.81 1xfu h THR 611 Cb 1.24 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 1xfu h THR 611 CO -0.71 0.00 -0.03 1.23 0.37 0.00 0.00 175.52 176.38 1xfu h GLY 612 N -0.39 0.20 1.05 2.16 0.00 0.43 -0.04 103.07 106.48 1xfu h GLY 612 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.39 1xfu h GLY 612 CO -0.03 -0.07 0.63 3.21 0.00 0.00 0.00 176.54 180.27 1xfu h ARG 613 N 0.04 1.27 0.00 4.80 3.08 0.70 -1.77 114.38 122.49 1xfu h ARG 613 Ca 0.12 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xfu h ARG 613 Cb 0.16 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1xfu h ARG 613 CO -0.22 0.85 0.00 0.34 -1.07 0.00 0.00 179.97 179.87 1xfu n PHE 614 N -4.38 0.00 -0.49 3.04 7.35 0.83 -2.40 117.46 121.41 1xfu n PHE 614 Ca 0.11 0.00 0.39 0.00 -0.76 0.00 0.00 57.45 57.19 1xfu n PHE 614 Cb 0.02 -0.35 0.63 0.00 0.35 0.00 0.00 39.48 40.13 1xfu n PHE 614 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1xfu n ILE 615 N -1.56 -0.12 -0.05 -2.13 5.41 -0.11 0.93 119.36 121.72 1xfu n ILE 615 Ca 0.00 1.42 -0.14 0.00 1.00 0.00 0.00 62.75 65.03 1xfu n ILE 615 Cb 0.00 -2.35 -0.07 0.00 -0.71 0.00 0.00 39.64 36.51 1xfu n ILE 615 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1xfu h GLU 616 N 0.00 0.48 0.08 0.38 5.08 -1.21 0.46 114.58 119.84 1xfu h GLU 616 Ca 0.77 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1xfu h GLU 616 Cb 2.76 0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.05 1xfu h GLU 616 CO -0.23 0.91 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.43 1xfu h LYS 617 N 0.11 -0.10 0.02 2.33 3.64 0.91 -2.36 116.57 121.12 1xfu h LYS 617 Ca 0.01 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.12 1xfu h LYS 617 Cb 0.89 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 1xfu h LYS 617 CO 0.07 0.46 -1.54 -0.91 -2.27 0.00 0.00 179.45 175.26 1xfu h ASN 618 N -0.83 0.06 0.00 4.20 4.21 -1.34 -3.40 115.58 118.47 1xfu h ASN 618 Ca -0.01 -0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.40 1xfu h ASN 618 Cb 0.61 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1xfu h ASN 618 CO 0.02 1.09 0.00 -0.38 -1.29 0.00 0.00 177.43 176.87 1xfu n ILE 619 N -3.18 0.00 0.00 2.81 5.41 -0.39 -4.59 119.36 119.42 1xfu n ILE 619 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1xfu n ILE 619 Cb 1.02 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1xfu n ILE 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xfu n THR 620 N -1.28 0.00 -0.34 1.39 -1.04 0.15 -1.41 114.28 111.74 1xfu n THR 620 Ca 0.00 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1xfu n THR 620 Cb 0.00 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 1xfu n THR 620 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xfu n GLY 621 N -0.57 2.02 0.64 3.41 0.00 -0.89 -3.61 105.19 106.18 1xfu n GLY 621 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xfu n GLY 621 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfu n LYS 622 N 1.58 0.00 -1.17 1.61 3.00 -0.50 -4.96 118.16 117.71 1xfu n LYS 622 Ca 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 58.31 57.27 1xfu n LYS 622 Cb 0.38 -0.38 0.00 0.00 0.00 0.00 0.00 35.03 35.04 1xfu n LYS 622 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfu n ASP 623 N 0.07 -2.22 -4.29 3.14 8.00 -1.24 -4.94 116.55 115.07 1xfu n ASP 623 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1xfu n ASP 623 Cb 0.74 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 1xfu n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xfu s TYR 624 N -2.00 2.27 -0.29 1.24 1.51 -1.23 -1.85 117.35 117.00 1xfu s TYR 624 Ca 0.00 -0.47 -0.27 0.00 -1.01 0.00 0.00 57.07 55.31 1xfu s TYR 624 Cb 0.00 -1.47 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1xfu s TYR 624 CO 0.00 -0.07 0.99 -1.17 -1.11 0.00 0.00 175.55 174.19 1xfu s LEU 625 N -0.51 4.02 0.05 -1.29 2.96 -0.67 -4.46 118.68 118.78 1xfu s LEU 625 Ca 0.07 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 55.06 1xfu s LEU 625 Cb -0.10 -3.42 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 1xfu s LEU 625 CO -0.00 -0.75 -0.09 -0.47 -1.32 0.00 0.00 176.35 173.72 1xfu s TYR 626 N 3.34 0.81 -0.00 5.38 5.04 -1.26 -4.06 117.35 126.59 1xfu s TYR 626 Ca 0.41 -0.52 -0.03 0.00 -2.44 0.00 0.00 57.07 54.50 1xfu s TYR 626 Cb -0.13 -0.47 -0.00 0.00 0.35 0.00 0.00 41.96 41.70 1xfu s TYR 626 CO 0.12 -0.06 0.05 1.52 -1.34 0.00 0.00 175.55 175.84 1xfu s TYR 627 N -1.53 0.07 0.03 4.97 -0.85 -1.26 -5.05 117.35 113.73 1xfu s TYR 627 Ca -0.07 -0.14 0.06 0.00 -0.52 0.00 0.00 57.07 56.40 1xfu s TYR 627 Cb -0.09 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 1xfu s TYR 627 CO 0.00 -0.15 -0.14 -0.59 -1.52 0.00 0.00 175.55 173.16 1xfu s PHE 628 N -0.82 2.68 -0.23 -3.49 -0.12 -1.26 -4.97 117.98 109.76 1xfu s PHE 628 Ca -0.09 -0.18 -0.21 0.00 -0.05 0.00 0.00 56.93 56.40 1xfu s PHE 628 Cb -0.05 -1.51 -0.09 0.00 -0.63 0.00 0.00 43.02 40.73 1xfu s PHE 628 CO 0.00 0.30 0.84 -1.71 -0.05 0.00 0.00 175.22 174.60 1xfu n ASN 629 N 1.51 0.46 -0.25 1.98 2.85 -1.20 -4.77 115.26 115.84 1xfu n ASN 629 Ca -0.16 0.44 0.14 0.00 -0.11 0.00 0.00 54.58 54.89 1xfu n ASN 629 Cb 0.52 -0.40 0.43 0.00 1.24 0.00 0.00 39.78 41.56 1xfu n ASN 629 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1xfu h ARG 630 N 3.07 0.57 -0.78 1.20 2.47 -1.95 -0.74 114.38 118.22 1xfu h ARG 630 Ca -0.13 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1xfu h ARG 630 Cb 0.63 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1xfu h ARG 630 CO 0.47 0.38 0.00 0.43 0.56 0.00 0.00 179.97 181.80 1xfu n SER 631 N -4.55 0.79 -4.81 7.04 7.64 -1.26 -4.78 113.62 113.69 1xfu n SER 631 Ca 0.18 -1.56 -0.39 0.00 1.01 0.00 0.00 58.87 58.11 1xfu n SER 631 Cb 0.54 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1xfu n SER 631 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xfu s TYR 632 N -0.99 3.82 0.00 1.43 4.12 -0.29 -3.47 117.35 121.97 1xfu s TYR 632 Ca 0.00 1.33 0.00 0.00 0.02 0.00 0.00 57.07 58.42 1xfu s TYR 632 Cb 0.00 -2.54 0.00 0.00 -1.52 0.00 0.00 41.96 37.90 1xfu s TYR 632 CO 0.00 0.58 0.00 0.09 0.02 0.00 0.00 175.55 176.24 1xfu n ASN 633 N 1.69 0.00 -2.65 2.29 3.02 -0.08 -4.91 115.26 114.62 1xfu n ASN 633 Ca -0.10 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.40 1xfu n ASN 633 Cb 0.50 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 1xfu n ASN 633 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xfu n LYS 634 N -2.00 1.17 -3.83 3.52 5.02 -1.23 -4.96 118.16 115.85 1xfu n LYS 634 Ca 0.00 -0.76 -0.34 0.00 -2.02 0.00 0.00 58.31 55.19 1xfu n LYS 634 Cb 0.00 0.04 -0.12 0.00 -0.02 0.00 0.00 35.03 34.93 1xfu n LYS 634 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xfu s ILE 635 N -0.34 3.11 0.30 -0.18 1.09 -1.26 -4.16 121.20 119.76 1xfu s ILE 635 Ca 0.09 -2.56 -0.29 0.00 -1.10 0.00 0.00 60.65 56.79 1xfu s ILE 635 Cb -0.01 -3.13 -0.13 0.00 -1.06 0.00 0.00 42.46 38.14 1xfu s ILE 635 CO 0.06 -0.74 1.38 0.00 -0.10 0.00 0.00 174.94 175.54 1xfu n ALA 636 N 4.00 1.46 0.11 9.38 0.00 -1.06 -4.82 120.51 129.58 1xfu n ALA 636 Ca 0.03 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 1xfu n ALA 636 Cb 0.39 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 1xfu n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xfu h PRO 637 N 3.44 -0.28 -0.51 0.00 0.11 -1.82 0.11 132.00 133.05 1xfu h PRO 637 Ca -0.46 0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1xfu h PRO 637 Cb 1.27 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.35 1xfu h PRO 637 CO 0.69 -0.18 -0.17 0.41 -0.21 0.00 0.00 178.00 178.54 1xfu n GLY 638 N -0.69 -0.96 0.00 -0.55 0.00 -1.16 -1.31 105.19 100.52 1xfu n GLY 638 Ca -0.04 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1xfu n GLY 638 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xfu n ASN 639 N -4.79 1.33 -3.95 1.61 2.04 -1.24 -4.98 115.26 105.29 1xfu n ASN 639 Ca 0.07 -1.35 -0.25 0.00 -0.44 0.00 0.00 54.58 52.60 1xfu n ASN 639 Cb 0.23 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.46 1xfu n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1xfu n LYS 640 N -0.18 -3.23 -4.79 -3.83 5.02 0.37 -4.96 118.16 106.58 1xfu n LYS 640 Ca 0.00 0.40 -0.33 0.00 -2.02 0.00 0.00 58.31 56.36 1xfu n LYS 640 Cb 0.10 -4.50 -0.13 0.00 -0.02 0.00 0.00 35.03 30.48 1xfu n LYS 640 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xfu s ALA 641 N -3.96 2.75 -0.41 7.82 0.00 -1.18 -4.86 121.76 121.92 1xfu s ALA 641 Ca 0.01 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 1xfu s ALA 641 Cb -0.00 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 22.05 1xfu s ALA 641 CO 0.89 0.50 0.30 -0.47 0.00 0.00 0.00 175.76 176.98 1xfu s TYR 642 N -0.53 3.24 -0.29 0.00 5.04 -1.26 -2.55 117.35 121.00 1xfu s TYR 642 Ca 0.07 -0.66 -0.03 0.00 -2.44 0.00 0.00 57.07 54.02 1xfu s TYR 642 Cb -0.12 -2.65 0.04 0.00 0.35 0.00 0.00 41.96 39.58 1xfu s TYR 642 CO 0.02 -0.62 0.01 0.42 -1.34 0.00 0.00 175.55 174.03 1xfu s ILE 643 N 1.67 3.18 0.17 3.14 1.01 -1.26 -4.98 121.20 124.12 1xfu s ILE 643 Ca 0.05 -1.17 -0.30 0.00 0.00 0.00 0.00 60.65 59.23 1xfu s ILE 643 Cb -0.20 -2.74 -0.07 0.00 0.01 0.00 0.00 42.46 39.46 1xfu s ILE 643 CO 0.09 -0.01 1.08 -0.70 0.00 0.00 0.00 174.94 175.40 1xfu s GLU 644 N 1.32 4.61 -0.16 2.79 2.12 -1.26 -0.91 118.70 127.21 1xfu s GLU 644 Ca -0.02 1.67 -0.11 0.00 0.36 0.00 0.00 54.97 56.87 1xfu s GLU 644 Cb -0.19 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 30.96 1xfu s GLU 644 CO -0.01 0.10 0.41 -0.46 -0.54 0.00 0.00 175.26 174.75 1xfu s TRP 645 N -0.19 -0.56 -0.18 5.30 -0.11 -1.26 -4.91 118.94 117.04 1xfu s TRP 645 Ca 0.49 1.23 -0.29 0.00 1.22 0.00 0.00 56.10 58.75 1xfu s TRP 645 Cb -0.28 0.23 -0.05 0.00 -1.50 0.00 0.00 33.47 31.87 1xfu s TRP 645 CO 0.34 -0.31 2.05 0.95 -4.62 0.00 0.00 176.95 175.36 1xfu s THR 646 N 1.07 3.14 -0.25 5.86 -4.23 -1.26 -4.83 115.64 115.14 1xfu s THR 646 Ca -0.07 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 1xfu s THR 646 Cb -0.07 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.59 1xfu s THR 646 CO -0.09 -0.08 0.05 -0.62 -0.54 0.00 0.00 174.62 173.33 1xfu s ASP 647 N 6.78 4.94 0.07 3.99 3.68 -1.26 -5.01 116.67 129.85 1xfu s ASP 647 Ca 0.92 -0.33 -0.32 0.00 2.13 0.00 0.00 52.55 54.95 1xfu s ASP 647 Cb -0.33 -1.87 -0.19 0.00 -1.45 0.00 0.00 42.92 39.08 1xfu s ASP 647 CO 0.36 -0.06 1.62 -0.65 0.13 0.00 0.00 175.17 176.57 1xfu h PRO 648 N 8.21 -0.84 -1.20 4.34 0.11 -1.99 -2.90 132.00 137.74 1xfu h PRO 648 Ca -0.38 0.06 0.41 0.00 0.11 0.00 0.00 66.00 66.20 1xfu h PRO 648 Cb 1.16 0.19 -0.14 0.00 0.11 0.00 0.00 31.00 32.32 1xfu h PRO 648 CO 0.59 -0.56 0.73 0.82 -0.21 0.00 0.00 178.00 179.38 1xfu h ILE 649 N -0.88 0.12 -0.07 4.15 2.04 -1.98 1.97 117.51 122.87 1xfu h ILE 649 Ca -0.09 -0.04 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 1xfu h ILE 649 Cb 0.67 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1xfu h ILE 649 CO 0.15 0.02 -0.58 0.74 0.00 0.00 0.00 178.15 178.48 1xfu h THR 650 N 0.11 1.38 0.00 -0.27 2.02 -1.95 -2.79 112.91 111.41 1xfu h THR 650 Ca 0.81 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1xfu h THR 650 Cb 2.35 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.72 1xfu h THR 650 CO -0.53 0.57 0.00 1.17 0.37 0.00 0.00 175.52 177.10 1xfu n LYS 651 N -3.89 0.00 -0.14 6.66 4.81 0.67 -1.44 118.16 124.83 1xfu n LYS 651 Ca -0.02 0.39 0.06 0.00 -0.87 0.00 0.00 58.31 57.87 1xfu n LYS 651 Cb 0.60 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 34.23 1xfu n LYS 651 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xfu n ALA 652 N -1.49 2.10 -0.03 3.14 0.00 -1.06 -4.68 120.51 118.49 1xfu n ALA 652 Ca 0.01 -1.95 -0.18 0.00 0.00 0.00 0.00 53.44 51.33 1xfu n ALA 652 Cb 0.07 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 19.06 1xfu n ALA 652 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xfu h LYS 653 N 0.00 0.12 -1.00 0.00 3.64 -1.17 -3.30 116.57 114.86 1xfu h LYS 653 Ca 0.00 -0.20 0.29 0.00 -1.27 0.00 0.00 60.65 59.47 1xfu h LYS 653 Cb 1.00 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 1xfu h LYS 653 CO 0.00 1.10 1.11 -0.89 -2.27 0.00 0.00 179.45 178.50 1xfu n ILE 654 N -4.36 0.00 -1.49 2.00 5.41 -1.26 0.14 119.36 119.80 1xfu n ILE 654 Ca -0.15 1.14 0.05 0.00 1.00 0.00 0.00 62.75 64.79 1xfu n ILE 654 Cb 0.65 -2.04 0.20 0.00 -0.71 0.00 0.00 39.64 37.75 1xfu n ILE 654 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1xfu n ASN 655 N -3.09 1.95 -3.96 4.38 5.03 -1.24 -4.55 115.26 113.78 1xfu n ASN 655 Ca 0.22 -3.75 -0.25 0.00 0.87 0.00 0.00 54.58 51.67 1xfu n ASN 655 Cb 1.41 -0.53 -0.17 0.00 -1.02 0.00 0.00 39.78 39.48 1xfu n ASN 655 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xfu s THR 656 N -3.18 1.02 0.35 3.41 2.01 0.37 -4.07 115.64 115.56 1xfu s THR 656 Ca 0.38 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 1xfu s THR 656 Cb 0.36 -0.98 -0.11 0.00 0.01 0.00 0.00 72.50 71.77 1xfu s THR 656 CO -0.04 0.34 1.50 0.00 -0.69 0.00 0.00 174.62 175.73 1xfu n ILE 657 N 4.26 1.70 -0.52 1.82 3.06 -1.26 -4.75 119.36 123.67 1xfu n ILE 657 Ca -0.19 -0.42 -0.05 0.00 -2.50 0.00 0.00 62.75 59.58 1xfu n ILE 657 Cb 0.51 -1.93 0.04 0.00 0.54 0.00 0.00 39.64 38.80 1xfu n ILE 657 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1xfu n PRO 658 N 0.97 -1.51 -4.45 9.51 -0.04 -1.26 -5.06 135.00 133.17 1xfu n PRO 658 Ca 0.04 -0.29 -0.25 0.00 -0.04 0.00 0.00 63.50 62.96 1xfu n PRO 658 Cb 0.38 -0.28 -0.10 0.00 -0.04 0.00 0.00 33.50 33.46 1xfu n PRO 658 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xfu s THR 659 N -1.31 2.49 0.08 0.52 2.01 -1.26 -4.92 115.64 113.25 1xfu s THR 659 Ca 0.12 -2.16 -0.21 0.00 0.31 0.00 0.00 61.69 59.75 1xfu s THR 659 Cb -0.01 -2.63 -0.08 0.00 0.01 0.00 0.00 72.50 69.79 1xfu s THR 659 CO 0.09 -0.26 1.35 -1.28 -0.69 0.00 0.00 174.62 173.83 1xfu h SER 660 N 2.00 -1.12 0.49 3.53 0.87 -1.90 0.22 113.55 117.65 1xfu h SER 660 Ca -0.42 0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 1xfu h SER 660 Cb 1.25 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 1xfu h SER 660 CO 0.66 -0.29 -0.34 0.00 -0.53 0.00 0.00 176.83 176.33 1xfu h ALA 661 N -0.65 1.25 0.00 6.23 0.00 -1.96 -0.65 119.26 123.48 1xfu h ALA 661 Ca 0.03 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1xfu h ALA 661 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xfu h ALA 661 CO -0.31 0.43 -0.35 1.49 0.00 0.00 0.00 179.25 180.51 1xfu h GLU 662 N 0.00 0.00 0.13 0.00 4.81 -1.67 -1.16 114.58 116.69 1xfu h GLU 662 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xfu h GLU 662 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1xfu h GLU 662 CO 0.04 0.35 -0.06 0.35 -0.73 0.00 0.00 179.01 178.96 1xfu h PHE 663 N 0.00 -0.16 -1.17 0.92 3.57 0.16 -2.94 116.94 117.31 1xfu h PHE 663 Ca -0.00 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.83 1xfu h PHE 663 Cb 0.65 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.34 1xfu h PHE 663 CO 0.00 -0.10 0.78 0.82 -2.23 0.00 0.00 178.31 177.57 1xfu h ILE 664 N -0.68 0.37 0.62 1.41 2.04 -1.16 -0.27 117.51 119.85 1xfu h ILE 664 Ca -0.02 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1xfu h ILE 664 Cb 0.13 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1xfu h ILE 664 CO 0.03 0.04 -0.32 0.11 0.00 0.00 0.00 178.15 178.01 1xfu h LYS 665 N 0.22 -0.83 0.00 2.37 6.56 -1.25 -2.14 116.57 121.50 1xfu h LYS 665 Ca 0.67 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 60.31 1xfu h LYS 665 Cb 2.02 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 33.87 1xfu h LYS 665 CO -0.28 -0.55 0.42 -0.91 -2.06 0.00 0.00 179.45 176.07 1xfu h ASN 666 N -0.86 0.00 0.00 0.86 4.21 -0.86 0.03 115.58 118.95 1xfu h ASN 666 Ca -0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1xfu h ASN 666 Cb 0.67 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1xfu h ASN 666 CO 0.13 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.45 1xfu n LEU 667 N -2.58 0.14 -0.25 1.61 4.77 -0.96 -3.07 117.00 116.65 1xfu n LEU 667 Ca -0.01 0.50 0.23 0.00 -0.03 0.00 0.00 56.01 56.70 1xfu n LEU 667 Cb 0.45 -0.48 0.42 0.00 -2.33 0.00 0.00 43.42 41.48 1xfu n LEU 667 CO 0.09 -0.48 0.75 -0.24 -1.33 0.00 0.00 177.39 176.19 1xfu n SER 668 N -1.93 0.21 0.00 -1.43 2.88 -0.72 0.19 113.62 112.82 1xfu n SER 668 Ca 0.00 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1xfu n SER 668 Cb 0.00 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1xfu n SER 668 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xfu n SER 669 N -4.36 0.00 -0.32 -3.46 2.88 -0.08 -2.06 113.62 106.21 1xfu n SER 669 Ca 0.26 0.57 0.22 0.00 -1.33 0.00 0.00 58.87 58.59 1xfu n SER 669 Cb 0.93 -0.07 0.43 0.00 -0.75 0.00 0.00 64.21 64.76 1xfu n SER 669 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1xfu h ILE 670 N 0.00 0.23 0.00 2.46 2.04 -0.18 -0.09 117.51 121.97 1xfu h ILE 670 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1xfu h ILE 670 Cb 0.00 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1xfu h ILE 670 CO 0.00 0.04 0.00 -1.14 0.00 0.00 0.00 178.15 177.05 1xfu n ARG 671 N -5.17 0.00 0.00 2.37 0.63 -0.49 -0.17 116.66 113.84 1xfu n ARG 671 Ca 0.30 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 58.05 1xfu n ARG 671 Cb 0.94 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 32.39 1xfu n ARG 671 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1xfu n ARG 672 N -2.59 0.00 0.00 -0.14 0.00 -0.05 -3.42 116.66 110.46 1xfu n ARG 672 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1xfu n ARG 672 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.14 1xfu n ARG 672 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xfu n SER 673 N -0.66 0.00 -4.65 6.15 2.88 0.77 -4.80 113.62 113.32 1xfu n SER 673 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1xfu n SER 673 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1xfu n SER 673 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xfu s SER 674 N 0.53 6.60 0.00 -3.46 1.04 -0.99 -4.82 113.70 112.60 1xfu s SER 674 Ca 0.00 1.82 0.03 0.00 0.48 0.00 0.00 55.95 58.27 1xfu s SER 674 Cb 0.00 -2.53 0.15 0.00 0.10 0.00 0.00 66.02 63.74 1xfu s SER 674 CO 0.00 -1.04 0.46 0.59 0.98 0.00 0.00 173.24 174.23 1xfu n ASN 675 N 7.62 0.00 -4.71 7.02 3.02 -1.22 -4.18 115.26 122.81 1xfu n ASN 675 Ca 0.17 -0.37 -0.36 0.00 -0.03 0.00 0.00 54.58 53.99 1xfu n ASN 675 Cb 0.44 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.53 1xfu n ASN 675 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xfu s VAL 676 N -2.00 5.36 0.76 2.41 -7.23 -1.26 -4.87 120.40 113.57 1xfu s VAL 676 Ca 0.04 0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 60.41 1xfu s VAL 676 Cb 0.02 -3.52 0.09 0.00 0.56 0.00 0.00 36.38 33.52 1xfu s VAL 676 CO 0.03 0.39 1.08 -0.83 -0.31 0.00 0.00 175.10 175.46 1xfu s GLY 677 N 0.61 1.69 0.59 2.32 0.00 -1.26 -4.46 107.32 106.81 1xfu s GLY 677 Ca 0.10 -0.99 0.34 0.00 0.00 0.00 0.00 44.72 44.16 1xfu s GLY 677 CO 0.01 -0.51 2.21 -2.08 0.00 0.00 0.00 173.10 172.73 1xfu h VAL 678 N -0.80 0.35 -3.25 1.40 2.07 -1.99 -3.40 116.25 110.63 1xfu h VAL 678 Ca -0.44 -0.22 -0.24 0.00 0.82 0.00 0.00 66.70 66.63 1xfu h VAL 678 Cb 1.30 1.16 -0.31 0.00 -1.52 0.00 0.00 31.29 31.92 1xfu h VAL 678 CO 0.56 0.04 -0.59 -0.72 0.02 0.00 0.00 177.57 176.88 1xfu s TYR 679 N -4.28 -0.17 0.28 1.57 -0.85 -1.26 -4.78 117.35 107.87 1xfu s TYR 679 Ca -0.04 0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 56.97 1xfu s TYR 679 Cb 0.13 -0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.36 1xfu s TYR 679 CO 0.52 -0.16 0.52 0.21 -1.52 0.00 0.00 175.55 175.12 1xfu s LYS 680 N 1.11 3.58 -1.29 -3.49 2.20 -1.26 -5.00 119.74 115.60 1xfu s LYS 680 Ca -0.09 -0.13 -0.19 0.00 -0.36 0.00 0.00 55.97 55.21 1xfu s LYS 680 Cb -0.11 -2.69 0.04 0.00 -1.51 0.00 0.00 37.83 33.57 1xfu s LYS 680 CO -0.06 0.23 1.79 -3.47 -0.36 0.00 0.00 175.35 173.48 1xfu n ASP 681 N -1.05 4.62 -0.93 1.43 2.03 -1.26 -4.81 116.55 116.58 1xfu n ASP 681 Ca -0.03 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.40 1xfu n ASP 681 Cb 0.54 -1.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 1xfu n ASP 681 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xfu n SER 682 N 9.19 0.10 -0.20 1.67 3.41 -1.26 -5.06 113.62 121.47 1xfu n SER 682 Ca 0.49 -0.88 0.08 0.00 -0.26 0.00 0.00 58.87 58.29 1xfu n SER 682 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1xfu n SER 682 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xfu n GLY 683 N 0.25 -0.22 3.54 5.00 0.00 -1.26 -4.90 105.19 107.60 1xfu n GLY 683 Ca 0.00 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1xfu n GLY 683 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xfu n ASP 684 N -0.69 2.36 0.00 1.61 5.75 -1.26 -4.72 116.55 119.61 1xfu n ASP 684 Ca 0.05 -0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1xfu n ASP 684 Cb 0.29 -1.47 0.00 0.00 -1.03 0.00 0.00 41.12 38.91 1xfu n ASP 684 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xfu n LYS 685 N 8.78 0.00 0.03 0.11 4.76 -1.26 0.15 118.16 130.73 1xfu n LYS 685 Ca 0.38 0.25 -0.04 0.00 -2.87 0.00 0.00 58.31 56.04 1xfu n LYS 685 Cb 0.43 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 1xfu n LYS 685 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1xfu h ASP 686 N 0.00 0.00 0.43 4.39 3.45 -1.99 -2.89 116.42 119.80 1xfu h ASP 686 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1xfu h ASP 686 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1xfu h ASP 686 CO 0.00 0.80 -0.20 -0.08 -1.57 0.00 0.00 179.24 178.19 1xfu h GLU 687 N 0.00 -0.55 -1.06 3.56 4.57 0.11 -2.91 114.58 118.30 1xfu h GLU 687 Ca -0.16 0.04 0.28 0.00 -1.18 0.00 0.00 59.36 58.35 1xfu h GLU 687 Cb 1.75 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 30.39 1xfu h GLU 687 CO 0.08 -0.37 0.71 0.35 -1.18 0.00 0.00 179.01 178.60 1xfu h PHE 688 N -0.98 0.43 -0.64 0.92 -0.00 -1.67 1.75 116.94 116.75 1xfu h PHE 688 Ca -0.06 0.01 0.11 0.00 -0.00 0.00 0.00 57.97 58.04 1xfu h PHE 688 Cb 0.44 -0.13 -0.08 0.00 -0.00 0.00 0.00 35.95 36.18 1xfu h PHE 688 CO 0.02 0.04 0.22 0.00 -0.00 0.00 0.00 178.31 178.59 1xfu h ALA 689 N 1.56 0.83 0.35 2.41 0.00 -1.34 0.91 119.26 123.99 1xfu h ALA 689 Ca 0.57 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.57 1xfu h ALA 689 Cb 1.70 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1xfu h ALA 689 CO -0.20 -0.23 -0.17 0.87 0.00 0.00 0.00 179.25 179.53 1xfu h LYS 690 N 0.37 -0.46 0.00 0.00 1.57 0.28 -1.61 116.57 116.72 1xfu h LYS 690 Ca 0.34 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1xfu h LYS 690 Cb 0.47 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1xfu h LYS 690 CO -0.36 -0.15 0.00 1.17 -0.57 0.00 0.00 179.45 179.54 1xfu n LYS 691 N -5.17 0.00 -0.29 3.15 4.81 -0.32 -0.47 118.16 119.86 1xfu n LYS 691 Ca -0.10 0.90 0.03 0.00 -0.87 0.00 0.00 58.31 58.27 1xfu n LYS 691 Cb 0.27 -1.50 0.09 0.00 0.02 0.00 0.00 35.03 33.92 1xfu n LYS 691 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1xfu n GLU 692 N -2.78 -0.10 0.26 1.64 4.07 0.25 0.02 120.64 124.00 1xfu n GLU 692 Ca 0.00 1.23 0.09 0.00 -0.06 0.00 0.00 57.16 58.43 1xfu n GLU 692 Cb 0.00 -1.84 0.69 0.00 -0.06 0.00 0.00 31.44 30.23 1xfu n GLU 692 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1xfu h SER 693 N 0.00 0.00 0.20 4.31 0.87 0.26 -1.68 113.55 117.51 1xfu h SER 693 Ca 0.36 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.64 1xfu h SER 693 Cb 0.55 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1xfu h SER 693 CO -0.81 0.03 -1.19 -0.37 -0.53 0.00 0.00 176.83 173.96 1xfu h VAL 694 N 0.00 1.38 -0.79 2.23 -1.51 0.60 -2.81 116.25 115.34 1xfu h VAL 694 Ca -0.00 -2.61 0.23 0.00 -1.23 0.00 0.00 66.70 63.09 1xfu h VAL 694 Cb 0.06 3.09 -0.03 0.00 -2.13 0.00 0.00 31.29 32.27 1xfu h VAL 694 CO 0.00 0.77 0.61 0.50 -1.23 0.00 0.00 177.57 178.22 1xfu h LYS 695 N -0.06 0.00 0.00 5.19 3.64 -0.78 0.79 116.57 125.35 1xfu h LYS 695 Ca -0.21 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.02 1xfu h LYS 695 Cb 1.94 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.74 1xfu h LYS 695 CO 0.22 0.00 -0.72 0.87 -2.27 0.00 0.00 179.45 177.56 1xfu h LYS 696 N 0.00 0.00 0.09 1.90 1.57 -1.09 -3.16 116.57 115.88 1xfu h LYS 696 Ca 0.38 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.92 1xfu h LYS 696 Cb 1.58 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.92 1xfu h LYS 696 CO -0.00 0.72 -0.97 0.82 -0.57 0.00 0.00 179.45 179.44 1xfu h ILE 697 N 0.00 1.37 0.00 1.86 2.04 0.61 -2.88 117.51 120.51 1xfu h ILE 697 Ca -0.01 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1xfu h ILE 697 Cb 1.44 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 1xfu h ILE 697 CO 0.09 0.70 0.00 0.00 0.00 0.00 0.00 178.15 178.94 1xfu n ALA 698 N -2.65 1.72 0.05 1.87 0.00 0.89 -1.28 120.51 121.11 1xfu n ALA 698 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xfu n ALA 698 Cb 0.86 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1xfu n ALA 698 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfu n GLY 699 N 0.36 -0.08 0.44 0.00 0.00 -1.15 -4.28 105.19 100.48 1xfu n GLY 699 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1xfu n GLY 699 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xfu h TYR 700 N 0.00 -1.40 -0.64 1.61 0.99 -1.17 1.40 116.97 117.75 1xfu h TYR 700 Ca 0.00 0.05 0.12 0.00 2.00 0.00 0.00 58.73 60.91 1xfu h TYR 700 Cb 0.21 0.63 -0.09 0.00 1.00 0.00 0.00 36.73 38.48 1xfu h TYR 700 CO 0.00 -0.52 0.15 -0.07 -0.00 0.00 0.00 178.16 177.73 1xfu h LEU 701 N -0.56 0.03 -1.88 3.88 3.38 -1.47 0.42 115.31 119.12 1xfu h LEU 701 Ca 0.05 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1xfu h LEU 701 Cb 0.67 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1xfu h LEU 701 CO -0.40 0.01 -0.13 -1.28 0.09 0.00 0.00 178.44 176.73 1xfu h SER 702 N 0.28 0.00 1.20 -0.43 0.87 -0.88 -2.00 113.55 112.60 1xfu h SER 702 Ca 0.34 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.74 1xfu h SER 702 Cb 0.52 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1xfu h SER 702 CO -0.42 0.13 -0.80 0.44 -0.53 0.00 0.00 176.83 175.65 1xfu h ASP 703 N 0.00 0.00 0.51 6.23 3.45 0.60 -3.32 116.42 123.89 1xfu h ASP 703 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 1xfu h ASP 703 Cb 0.32 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 1xfu h ASP 703 CO 0.02 0.79 -0.51 0.22 -1.57 0.00 0.00 179.24 178.18 1xfu h TYR 704 N 0.00 -1.41 -0.27 4.55 3.20 -0.17 -3.14 116.97 119.73 1xfu h TYR 704 Ca -0.01 0.01 -0.71 0.00 3.14 0.00 0.00 58.73 61.16 1xfu h TYR 704 Cb 1.61 0.55 -0.05 0.00 1.54 0.00 0.00 36.73 40.37 1xfu h TYR 704 CO 0.00 -0.68 3.03 0.66 -1.64 0.00 0.00 178.16 179.53 1xfu n TYR 705 N -5.57 3.25 -3.92 -3.82 4.02 -1.21 -4.90 117.16 105.01 1xfu n TYR 705 Ca -0.12 -2.96 -0.35 0.00 -0.01 0.00 0.00 57.90 54.46 1xfu n TYR 705 Cb 0.47 -2.42 -0.10 0.00 -0.02 0.00 0.00 39.34 37.26 1xfu n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1xfu s ASN 706 N 2.56 5.57 0.39 7.72 3.84 -1.19 -4.98 114.94 128.85 1xfu s ASN 706 Ca 0.49 0.02 0.28 0.00 0.21 0.00 0.00 52.86 53.86 1xfu s ASN 706 Cb 0.14 -1.97 1.11 0.00 -0.55 0.00 0.00 41.25 39.98 1xfu s ASN 706 CO -0.07 0.11 1.83 0.28 -2.79 0.00 0.00 177.10 176.46 1xfu h SER 707 N 7.16 0.00 0.03 -4.21 0.02 -1.93 -2.44 113.55 112.18 1xfu h SER 707 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1xfu h SER 707 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1xfu h SER 707 CO 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.35 1xfu n ALA 708 N -1.92 2.33 0.26 3.77 0.00 -1.26 -3.31 120.51 120.38 1xfu n ALA 708 Ca 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1xfu n ALA 708 Cb 0.28 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.50 1xfu n ALA 708 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xfu n ASN 709 N -1.02 0.00 0.05 0.00 5.03 -0.92 -2.77 115.26 115.63 1xfu n ASN 709 Ca 0.17 0.13 -0.20 0.00 0.87 0.00 0.00 54.58 55.54 1xfu n ASN 709 Cb 0.08 -0.22 -0.11 0.00 -1.02 0.00 0.00 39.78 38.52 1xfu n ASN 709 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 1xfu h HIS 710 N 0.00 1.04 0.00 3.10 2.07 -1.84 -3.10 115.15 116.42 1xfu h HIS 710 Ca 0.00 -0.57 0.00 0.00 -2.85 0.00 0.00 60.37 56.95 1xfu h HIS 710 Cb 0.04 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 29.90 1xfu h HIS 710 CO 0.00 1.41 0.00 0.44 -3.07 0.00 0.00 177.93 176.71 1xfu n ILE 711 N -3.84 0.00 -4.10 6.12 -5.35 -1.11 -4.38 119.36 106.69 1xfu n ILE 711 Ca -0.11 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.33 1xfu n ILE 711 Cb 0.89 -0.16 -0.01 0.00 -1.74 0.00 0.00 39.64 38.63 1xfu n ILE 711 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xfu n PHE 712 N 0.17 0.14 -4.33 4.28 0.99 -1.17 -5.16 117.46 112.38 1xfu n PHE 712 Ca 0.00 -0.33 -0.18 0.00 -0.00 0.00 0.00 57.45 56.94 1xfu n PHE 712 Cb 0.00 -0.04 -0.14 0.00 -1.00 0.00 0.00 39.48 38.30 1xfu n PHE 712 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1xfu s SER 713 N -1.37 1.06 0.00 4.37 1.04 -1.26 -4.96 113.70 112.58 1xfu s SER 713 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1xfu s SER 713 Cb 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1xfu s SER 713 CO 0.00 0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.30 1xfu n GLN 714 N 2.68 0.00 -0.09 4.02 3.00 -1.26 0.95 117.38 126.68 1xfu n GLN 714 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.74 1xfu n GLN 714 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.76 1xfu n GLN 714 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1xfu h GLU 715 N 0.00 -0.35 0.39 -1.09 4.57 -2.00 -1.36 114.58 114.74 1xfu h GLU 715 Ca 0.00 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1xfu h GLU 715 Cb 0.00 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1xfu h GLU 715 CO 0.00 -0.23 -0.44 -0.22 -1.18 0.00 0.00 179.01 176.94 1xfu h LYS 716 N -0.37 -0.83 -0.99 1.92 1.63 0.17 -2.48 116.57 115.63 1xfu h LYS 716 Ca 0.12 0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.08 1xfu h LYS 716 Cb 0.59 0.19 -0.13 0.00 -0.60 0.00 0.00 32.23 32.28 1xfu h LYS 716 CO -0.52 -0.55 -0.55 1.63 -3.45 0.00 0.00 179.45 176.01 1xfu n LYS 717 N -5.52 -0.40 -0.30 1.90 5.02 -0.93 0.80 118.16 118.74 1xfu n LYS 717 Ca -0.10 1.50 0.11 0.00 -2.02 0.00 0.00 58.31 57.80 1xfu n LYS 717 Cb 0.42 -2.21 0.28 0.00 -0.02 0.00 0.00 35.03 33.49 1xfu n LYS 717 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xfu h ARG 718 N 0.00 0.42 0.00 1.97 3.08 -0.96 -0.75 114.38 118.15 1xfu h ARG 718 Ca 0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1xfu h ARG 718 Cb 0.44 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1xfu h ARG 718 CO -0.94 0.28 0.00 1.63 -1.07 0.00 0.00 179.97 179.87 1xfu n LYS 719 N -5.02 0.00 -0.51 0.04 5.02 0.24 -1.27 118.16 116.66 1xfu n LYS 719 Ca 0.20 0.28 0.39 0.00 -2.02 0.00 0.00 58.31 57.17 1xfu n LYS 719 Cb 0.59 -0.98 0.61 0.00 -0.02 0.00 0.00 35.03 35.23 1xfu n LYS 719 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1xfu n ILE 720 N -1.35 -0.04 -0.04 -0.18 0.13 0.11 0.13 119.36 118.12 1xfu n ILE 720 Ca 0.00 1.21 -0.17 0.00 -1.10 0.00 0.00 62.75 62.68 1xfu n ILE 720 Cb 0.00 -2.01 -0.13 0.00 -0.84 0.00 0.00 39.64 36.66 1xfu n ILE 720 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1xfu h SER 721 N 0.00 0.16 -0.35 9.51 0.02 -1.20 -1.82 113.55 119.87 1xfu h SER 721 Ca 0.72 -0.90 0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1xfu h SER 721 Cb 2.77 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 65.24 1xfu h SER 721 CO -0.09 1.24 0.35 0.40 -1.14 0.00 0.00 176.83 177.59 1xfu h ILE 722 N -0.76 0.47 0.00 3.27 2.04 0.24 1.09 117.51 123.87 1xfu h ILE 722 Ca -0.12 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1xfu h ILE 722 Cb 1.29 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1xfu h ILE 722 CO 0.02 0.00 -0.34 0.15 0.00 0.00 0.00 178.15 177.98 1xfu h PHE 723 N 0.00 0.00 -0.98 1.37 3.57 -1.22 -0.78 116.94 118.90 1xfu h PHE 723 Ca 0.16 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.87 1xfu h PHE 723 Cb 0.85 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.50 1xfu h PHE 723 CO 0.00 0.71 0.62 0.00 -2.23 0.00 0.00 178.31 177.40 1xfu h ARG 724 N -1.00 0.59 0.46 1.11 2.47 -0.68 0.48 114.38 117.81 1xfu h ARG 724 Ca -0.07 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 1xfu h ARG 724 Cb 0.74 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1xfu h ARG 724 CO -0.05 0.39 -0.22 0.78 0.56 0.00 0.00 179.97 181.44 1xfu h GLY 725 N 0.61 -0.64 -0.57 0.04 0.00 0.12 -2.72 103.07 99.91 1xfu h GLY 725 Ca 0.55 0.24 0.20 0.00 0.00 0.00 0.00 47.33 48.32 1xfu h GLY 725 CO -0.31 -0.23 -0.02 -2.22 0.00 0.00 0.00 176.54 173.75 1xfu h ILE 726 N -0.62 0.23 -0.76 2.60 2.04 0.58 0.53 117.51 122.11 1xfu h ILE 726 Ca -0.06 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 65.92 1xfu h ILE 726 Cb 0.47 0.15 -0.14 0.00 -0.74 0.00 0.00 36.82 36.56 1xfu h ILE 726 CO 0.10 0.01 -0.20 1.56 0.00 0.00 0.00 178.15 179.63 1xfu h GLN 727 N 0.07 -0.01 0.81 2.37 4.20 -0.03 0.66 115.11 123.18 1xfu h GLN 727 Ca 0.46 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.13 1xfu h GLN 727 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1xfu h GLN 727 CO -0.77 -0.00 -0.42 0.00 -0.67 0.00 0.00 178.83 176.97 1xfu h ALA 728 N 1.73 -1.28 -1.34 3.87 0.00 0.36 -2.63 119.26 119.97 1xfu h ALA 728 Ca 0.36 -0.24 0.42 0.00 0.00 0.00 0.00 54.91 55.45 1xfu h ALA 728 Cb 0.56 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1xfu h ALA 728 CO -0.78 -1.22 0.88 -0.92 0.00 0.00 0.00 179.25 177.21 1xfu h TYR 729 N -1.12 0.46 0.00 0.00 3.20 -0.52 -2.49 116.97 116.51 1xfu h TYR 729 Ca -0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1xfu h TYR 729 Cb 0.87 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1xfu h TYR 729 CO -0.00 -0.15 0.00 -1.71 -1.64 0.00 0.00 178.16 174.66 1xfu n ASN 730 N -4.59 0.00 0.18 -2.11 2.85 0.11 -1.59 115.26 110.12 1xfu n ASN 730 Ca 0.36 0.66 0.03 0.00 -0.11 0.00 0.00 54.58 55.52 1xfu n ASN 730 Cb 1.41 -0.25 0.15 0.00 1.24 0.00 0.00 39.78 42.32 1xfu n ASN 730 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xfu h GLU 731 N 0.00 0.00 0.02 1.20 4.39 -1.35 2.56 114.58 121.39 1xfu h GLU 731 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1xfu h GLU 731 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xfu h GLU 731 CO 0.00 0.00 -0.10 0.82 -1.16 0.00 0.00 179.01 178.57 1xfu h ILE 732 N 0.00 1.73 -0.93 3.13 1.08 -1.24 -2.24 117.51 119.03 1xfu h ILE 732 Ca 0.00 -2.28 0.12 0.00 -0.39 0.00 0.00 64.86 62.31 1xfu h ILE 732 Cb 1.19 3.27 -0.08 0.00 -3.07 0.00 0.00 36.82 38.13 1xfu h ILE 732 CO 0.00 0.60 0.56 -0.08 -0.69 0.00 0.00 178.15 178.54 1xfu h GLU 733 N -0.87 0.84 0.34 2.37 4.57 0.53 -0.05 114.58 122.31 1xfu h GLU 733 Ca -0.02 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1xfu h GLU 733 Cb 1.04 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 1xfu h GLU 733 CO 0.02 0.56 -0.35 -0.97 -1.18 0.00 0.00 179.01 177.09 1xfu h ASN 734 N 0.87 -0.95 -0.85 1.04 -1.24 -0.88 -2.34 115.58 111.22 1xfu h ASN 734 Ca 0.47 0.08 0.01 0.00 0.71 0.00 0.00 56.30 57.56 1xfu h ASN 734 Cb 0.50 0.31 -0.04 0.00 0.73 0.00 0.00 38.32 39.82 1xfu h ASN 734 CO -0.28 -0.46 0.56 0.58 -1.29 0.00 0.00 177.43 176.55 1xfu h VAL 735 N -0.69 1.22 0.00 2.57 2.07 -1.04 -1.51 116.25 118.87 1xfu h VAL 735 Ca -0.04 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1xfu h VAL 735 Cb 0.60 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1xfu h VAL 735 CO -0.04 0.21 0.27 0.25 0.02 0.00 0.00 177.57 178.28 1xfu h LEU 736 N 1.16 0.00 -3.05 2.57 5.85 -0.84 0.75 115.31 121.76 1xfu h LEU 736 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1xfu h LEU 736 Cb -0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1xfu h LEU 736 CO -0.07 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.32 1xfu n LYS 737 N -2.84 2.16 0.00 1.25 4.76 -0.62 -4.97 118.16 117.90 1xfu n LYS 737 Ca -0.02 -2.36 0.00 0.00 -2.87 0.00 0.00 58.31 53.06 1xfu n LYS 737 Cb 0.32 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1xfu n LYS 737 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xfu n SER 738 N -0.85 0.00 -0.93 4.39 2.88 0.26 -5.05 113.62 114.32 1xfu n SER 738 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1xfu n SER 738 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1xfu n SER 738 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xfu n LYS 739 N -0.51 0.09 -1.56 -1.46 4.81 -1.26 -5.03 118.16 113.23 1xfu n LYS 739 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1xfu n LYS 739 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1xfu n LYS 739 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xfu n GLN 740 N 0.00 2.15 -2.17 1.64 1.13 -1.26 -4.90 117.38 113.97 1xfu n GLN 740 Ca 0.00 -2.30 -0.42 0.00 -1.94 0.00 0.00 57.00 52.34 1xfu n GLN 740 Cb 0.00 -3.18 -0.03 0.00 0.11 0.00 0.00 30.24 27.14 1xfu n GLN 740 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1xfu s ILE 741 N 4.79 3.33 0.16 5.09 -4.36 -1.26 -4.88 121.20 124.08 1xfu s ILE 741 Ca 0.54 0.94 -0.25 0.00 -0.26 0.00 0.00 60.65 61.62 1xfu s ILE 741 Cb 0.12 -3.60 -0.15 0.00 1.25 0.00 0.00 42.46 40.08 1xfu s ILE 741 CO 0.04 0.06 0.49 0.00 0.24 0.00 0.00 174.94 175.77 1xfu n ALA 742 N 4.12 -2.70 0.04 2.27 0.00 -1.26 -4.51 120.51 118.47 1xfu n ALA 742 Ca 0.12 0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.98 1xfu n ALA 742 Cb 0.42 -1.43 0.12 0.00 0.00 0.00 0.00 19.45 18.57 1xfu n ALA 742 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xfu n PRO 743 N 0.91 0.03 0.09 0.00 -0.04 -1.26 -0.85 135.00 133.87 1xfu n PRO 743 Ca 0.16 0.46 -0.22 0.00 -0.04 0.00 0.00 63.50 63.86 1xfu n PRO 743 Cb 0.21 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 1xfu n PRO 743 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1xfu h GLU 744 N 0.00 0.51 0.00 0.54 9.09 -2.01 -3.00 114.58 119.71 1xfu h GLU 744 Ca 0.00 -0.74 -0.16 0.00 0.05 0.00 0.00 59.36 58.51 1xfu h GLU 744 Cb 0.19 0.26 -0.02 0.00 -1.65 0.00 0.00 28.75 27.53 1xfu h GLU 744 CO 0.00 1.34 -0.75 1.88 0.05 0.00 0.00 179.01 181.53 1xfu h TYR 745 N 0.05 0.00 -0.10 2.06 -1.99 -1.30 -2.93 116.97 112.75 1xfu h TYR 745 Ca -0.18 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.59 1xfu h TYR 745 Cb 1.85 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 40.52 1xfu h TYR 745 CO 0.14 0.75 -0.38 -0.22 -0.00 0.00 0.00 178.16 178.44 1xfu h LYS 746 N 0.00 -0.46 0.73 4.88 3.64 -1.25 -0.82 116.57 123.30 1xfu h LYS 746 Ca -0.01 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1xfu h LYS 746 Cb 1.39 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 1xfu h LYS 746 CO 0.10 -0.31 -0.49 -0.91 -2.27 0.00 0.00 179.45 175.57 1xfu h ASN 747 N -0.47 -1.27 -0.54 4.20 -0.26 -1.52 -1.16 115.58 114.55 1xfu h ASN 747 Ca 0.08 0.08 0.05 0.00 -0.56 0.00 0.00 56.30 55.94 1xfu h ASN 747 Cb 0.60 0.38 -0.06 0.00 -1.06 0.00 0.00 38.32 38.18 1xfu h ASN 747 CO -0.37 -0.74 -0.32 0.00 -1.06 0.00 0.00 177.43 174.95 1xfu n TYR 748 N -5.61 -0.24 -0.30 1.19 9.36 -1.07 0.18 117.16 120.67 1xfu n TYR 748 Ca -0.14 0.67 0.12 0.00 3.32 0.00 0.00 57.90 61.86 1xfu n TYR 748 Cb 0.49 -0.53 0.29 0.00 -0.63 0.00 0.00 39.34 38.96 1xfu n TYR 748 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1xfu h PHE 749 N 0.00 0.69 0.00 2.98 0.04 -1.08 2.02 116.94 121.59 1xfu h PHE 749 Ca 0.09 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1xfu h PHE 749 Cb 0.22 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1xfu h PHE 749 CO -0.92 0.02 -0.00 1.96 -0.60 0.00 0.00 178.31 178.77 1xfu h GLN 750 N 0.47 0.00 0.03 1.51 1.08 0.33 0.33 115.11 118.85 1xfu h GLN 750 Ca 0.53 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.64 1xfu h GLN 750 Cb 0.95 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1xfu h GLN 750 CO -0.48 0.00 -0.47 -0.92 -0.95 0.00 0.00 178.83 176.02 1xfu h TYR 751 N 0.00 0.12 0.00 2.96 3.20 0.67 -3.22 116.97 120.69 1xfu h TYR 751 Ca -0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1xfu h TYR 751 Cb 0.01 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1xfu h TYR 751 CO 0.00 1.18 0.12 -0.07 -1.64 0.00 0.00 178.16 177.75 1xfu h LEU 752 N -0.85 0.00 0.09 2.82 3.38 0.15 -2.07 115.31 118.83 1xfu h LEU 752 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xfu h LEU 752 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1xfu h LEU 752 CO -0.01 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.59 1xfu h LYS 753 N 0.00 -0.12 -1.03 1.13 1.57 -1.00 -3.05 116.57 114.07 1xfu h LYS 753 Ca 0.00 0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.11 1xfu h LYS 753 Cb 0.24 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.44 1xfu h LYS 753 CO 0.00 -0.08 0.60 1.49 -0.57 0.00 0.00 179.45 180.89 1xfu h GLU 754 N -0.87 0.32 0.00 3.15 4.81 -1.41 0.15 114.58 120.74 1xfu h GLU 754 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xfu h GLU 754 Cb 0.09 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xfu h GLU 754 CO 0.02 0.21 0.00 0.54 -0.73 0.00 0.00 179.01 179.05 1xfu n ARG 755 N -4.98 0.00 -0.29 1.92 5.12 -0.89 0.12 116.66 117.66 1xfu n ARG 755 Ca 0.31 0.34 -0.04 0.00 -1.93 0.00 0.00 57.85 56.53 1xfu n ARG 755 Cb 1.00 -1.20 -0.02 0.00 -1.16 0.00 0.00 32.46 31.07 1xfu n ARG 755 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1xfu n ILE 756 N -1.30 -0.43 -0.00 0.55 2.08 -0.35 0.36 119.36 120.27 1xfu n ILE 756 Ca 0.00 1.70 -0.00 0.00 0.56 0.00 0.00 62.75 65.00 1xfu n ILE 756 Cb 0.00 -2.17 -0.00 0.00 -0.75 0.00 0.00 39.64 36.72 1xfu n ILE 756 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1xfu h THR 757 N 0.00 0.00 -1.06 1.39 2.02 -0.51 0.32 112.91 115.07 1xfu h THR 757 Ca 0.18 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.68 1xfu h THR 757 Cb 0.36 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.64 1xfu h THR 757 CO -0.69 0.00 0.64 0.78 0.37 0.00 0.00 175.52 176.62 1xfu h ASN 758 N -0.00 0.48 -0.27 4.18 2.35 0.40 0.29 115.58 123.02 1xfu h ASN 758 Ca 0.00 0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1xfu h ASN 758 Cb 0.01 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1xfu h ASN 758 CO -0.01 -0.07 -0.27 -0.61 -1.65 0.00 0.00 177.43 174.82 1xfu h GLN 759 N 0.33 0.76 0.01 0.81 5.75 0.17 -2.00 115.11 120.93 1xfu h GLN 759 Ca 0.71 -0.33 -0.20 0.00 -0.15 0.00 0.00 58.65 58.68 1xfu h GLN 759 Cb 1.74 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 30.24 1xfu h GLN 759 CO -0.50 0.94 -0.95 0.28 -2.65 0.00 0.00 178.83 175.95 1xfu h VAL 760 N 0.65 1.66 -0.19 2.39 2.07 0.31 -2.26 116.25 120.89 1xfu h VAL 760 Ca 0.08 -3.19 -0.01 0.00 0.82 0.00 0.00 66.70 64.40 1xfu h VAL 760 Cb 0.79 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1xfu h VAL 760 CO 0.07 0.91 0.07 -0.61 0.02 0.00 0.00 177.57 178.03 1xfu h GLN 761 N 0.01 0.29 0.13 1.57 5.75 -1.01 -0.92 115.11 120.92 1xfu h GLN 761 Ca -0.02 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1xfu h GLN 761 Cb 1.67 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 30.13 1xfu h GLN 761 CO 0.13 0.36 -0.49 1.25 -2.65 0.00 0.00 178.83 177.43 1xfu h LEU 762 N 0.15 -1.46 -1.99 -2.39 5.85 -1.32 0.30 115.31 114.45 1xfu h LEU 762 Ca 0.06 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1xfu h LEU 762 Cb 0.18 0.54 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1xfu h LEU 762 CO -0.00 -0.52 0.20 -0.07 -0.34 0.00 0.00 178.44 177.70 1xfu h LEU 763 N -0.71 0.00 0.00 2.25 3.38 -1.27 -1.78 115.31 117.18 1xfu h LEU 763 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xfu h LEU 763 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1xfu h LEU 763 CO -0.25 0.00 -0.35 -0.07 0.09 0.00 0.00 178.44 177.86 1xfu h LEU 764 N 0.00 0.00 0.00 1.67 3.38 0.53 -3.32 115.31 117.57 1xfu h LEU 764 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1xfu h LEU 764 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xfu h LEU 764 CO 0.00 0.84 0.00 0.35 0.09 0.00 0.00 178.44 179.72 1xfu n THR 765 N -4.64 0.00 0.65 0.22 -2.24 0.83 0.12 114.28 109.22 1xfu n THR 765 Ca -0.09 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.79 1xfu n THR 765 Cb 0.29 -0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 1xfu n THR 765 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xfu n HIS 766 N -0.51 0.08 0.00 4.78 8.25 -1.04 -4.93 115.22 121.86 1xfu n HIS 766 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1xfu n HIS 766 Cb 0.00 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1xfu n HIS 766 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xfu n GLN 767 N -1.80 0.00 -3.70 -0.41 7.27 0.32 -5.02 117.38 114.03 1xfu n GLN 767 Ca 0.02 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.72 1xfu n GLN 767 Cb 0.41 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.97 1xfu n GLN 767 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1xfu s LYS 768 N 0.00 2.47 -0.35 3.69 -0.14 -1.23 -5.06 119.74 119.11 1xfu s LYS 768 Ca 0.00 -2.30 0.03 0.00 -1.36 0.00 0.00 55.97 52.35 1xfu s LYS 768 Cb 0.00 -3.74 0.10 0.00 -1.68 0.00 0.00 37.83 32.51 1xfu s LYS 768 CO 0.00 -1.16 0.08 0.45 -0.76 0.00 0.00 175.35 173.97 1xfu s SER 769 N 1.19 4.56 0.00 2.83 0.15 -1.26 -4.53 113.70 116.65 1xfu s SER 769 Ca 0.14 -2.16 0.00 0.00 0.70 0.00 0.00 55.95 54.63 1xfu s SER 769 Cb -0.21 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1xfu s SER 769 CO -0.04 -0.37 0.00 -3.20 1.20 0.00 0.00 173.24 170.83 1xfu n ASN 770 N 4.24 0.73 -4.67 5.45 4.05 -1.26 -4.98 115.26 118.81 1xfu n ASN 770 Ca 0.03 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.63 1xfu n ASN 770 Cb 0.41 0.10 -0.02 0.00 1.23 0.00 0.00 39.78 41.49 1xfu n ASN 770 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1xfu s ILE 771 N -0.85 4.56 -0.09 -1.44 -1.09 -1.26 -5.03 121.20 115.99 1xfu s ILE 771 Ca 0.00 1.86 -0.13 0.00 -2.23 0.00 0.00 60.65 60.15 1xfu s ILE 771 Cb 0.00 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1xfu s ILE 771 CO 0.00 -0.08 0.33 -1.61 -1.23 0.00 0.00 174.94 172.35 1xfu s GLU 772 N 2.69 4.01 0.21 2.79 2.02 -1.26 -4.93 118.70 124.22 1xfu s GLU 772 Ca 0.50 0.20 -0.15 0.00 0.02 0.00 0.00 54.97 55.54 1xfu s GLU 772 Cb -0.19 -3.31 0.23 0.00 0.10 0.00 0.00 34.13 30.95 1xfu s GLU 772 CO 0.14 0.49 1.40 0.34 0.02 0.00 0.00 175.26 177.65 1xfu n PHE 773 N 2.68 0.04 -0.34 1.61 7.35 -1.26 0.35 117.46 127.89 1xfu n PHE 773 Ca -0.14 1.11 0.16 0.00 -0.76 0.00 0.00 57.45 57.83 1xfu n PHE 773 Cb 0.53 -0.85 0.38 0.00 0.35 0.00 0.00 39.48 39.89 1xfu n PHE 773 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1xfu h LYS 774 N 0.00 0.62 0.01 -4.13 3.64 -1.99 -1.00 116.57 113.71 1xfu h LYS 774 Ca 0.32 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1xfu h LYS 774 Cb 0.54 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1xfu h LYS 774 CO -0.90 0.41 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.46 1xfu h LEU 775 N 0.64 0.13 -2.00 5.20 3.38 -0.50 -3.24 115.31 118.92 1xfu h LEU 775 Ca 0.59 -0.82 0.18 0.00 0.09 0.00 0.00 57.88 57.91 1xfu h LEU 775 Cb 1.09 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1xfu h LEU 775 CO -0.37 0.94 0.44 0.25 0.09 0.00 0.00 178.44 179.79 1xfu h LEU 776 N -0.66 0.00 0.42 1.67 6.46 -0.61 -2.72 115.31 119.88 1xfu h LEU 776 Ca -0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1xfu h LEU 776 Cb 0.97 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 1xfu h LEU 776 CO 0.03 0.00 -0.20 0.22 -0.62 0.00 0.00 178.44 177.87 1xfu h TYR 777 N 0.00 -0.53 -0.18 1.25 3.20 -1.23 -3.26 116.97 116.22 1xfu h TYR 777 Ca 0.29 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.17 1xfu h TYR 777 Cb 1.17 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 1xfu h TYR 777 CO 0.00 -0.33 -0.11 1.63 -1.64 0.00 0.00 178.16 177.71 1xfu n LYS 778 N -3.74 -0.08 0.00 1.82 4.76 -1.02 0.17 118.16 120.07 1xfu n LYS 778 Ca -0.07 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1xfu n LYS 778 Cb 0.22 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 1xfu n LYS 778 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1xfu n GLN 779 N -3.53 0.00 -3.64 1.97 6.02 -1.23 -4.68 117.38 112.30 1xfu n GLN 779 Ca 0.00 0.07 -0.27 0.00 -0.01 0.00 0.00 57.00 56.79 1xfu n GLN 779 Cb 0.05 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.65 1xfu n GLN 779 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xfu s LEU 780 N -1.77 4.20 -0.61 1.08 2.01 0.13 -4.98 118.68 118.73 1xfu s LEU 780 Ca 0.00 0.45 0.04 0.00 0.01 0.00 0.00 54.13 54.63 1xfu s LEU 780 Cb 0.00 -3.23 0.15 0.00 0.01 0.00 0.00 46.19 43.13 1xfu s LEU 780 CO 0.00 -0.07 0.39 0.21 1.01 0.00 0.00 176.35 177.89 1xfu s ASN 781 N -3.18 4.42 -0.28 2.29 3.04 -1.26 -4.95 114.94 115.03 1xfu s ASN 781 Ca 0.39 -3.44 0.01 0.00 0.04 0.00 0.00 52.86 49.86 1xfu s ASN 781 Cb -0.11 -1.55 0.32 0.00 -1.54 0.00 0.00 41.25 38.38 1xfu s ASN 781 CO 0.29 -0.15 1.66 0.49 -3.04 0.00 0.00 177.10 176.35 1xfu n PHE 782 N 2.51 1.68 0.00 0.43 3.01 -1.26 -4.71 117.46 119.13 1xfu n PHE 782 Ca 0.14 -1.49 0.00 0.00 1.01 0.00 0.00 57.45 57.11 1xfu n PHE 782 Cb 0.34 -0.75 0.00 0.00 -0.01 0.00 0.00 39.48 39.07 1xfu n PHE 782 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1xfu n THR 783 N -0.21 0.00 -0.08 4.37 -1.04 -1.26 -4.94 114.28 111.12 1xfu n THR 783 Ca 0.33 0.10 -0.17 0.00 -2.04 0.00 0.00 64.05 62.27 1xfu n THR 783 Cb 0.97 -0.62 -0.06 0.00 -1.82 0.00 0.00 70.33 68.80 1xfu n THR 783 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1xfu n GLU 784 N 0.00 0.40 -3.07 -2.82 0.28 -1.26 -5.01 120.64 109.16 1xfu n GLU 784 Ca 0.00 0.17 -0.34 0.00 -0.16 0.00 0.00 57.16 56.84 1xfu n GLU 784 Cb 0.00 -1.19 -0.06 0.00 1.43 0.00 0.00 31.44 31.62 1xfu n GLU 784 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xfu s ASN 785 N -6.54 6.90 -0.03 -1.84 2.20 -1.26 -4.98 114.94 109.39 1xfu s ASN 785 Ca -0.26 1.40 0.04 0.00 -0.94 0.00 0.00 52.86 53.11 1xfu s ASN 785 Cb 0.08 -2.42 -0.06 0.00 -2.00 0.00 0.00 41.25 36.86 1xfu s ASN 785 CO 0.33 -0.15 0.04 1.21 -2.94 0.00 0.00 177.10 175.59 1xfu n GLU 786 N -0.06 2.38 0.00 3.55 4.07 -1.26 -4.75 120.64 124.58 1xfu n GLU 786 Ca 0.02 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1xfu n GLU 786 Cb 0.53 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.79 1xfu n GLU 786 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1xfu n THR 787 N -2.02 0.00 -0.25 6.31 -2.24 -1.26 -2.87 114.28 111.95 1xfu n THR 787 Ca -0.05 0.20 0.30 0.00 -2.27 0.00 0.00 64.05 62.23 1xfu n THR 787 Cb 0.50 -0.63 0.70 0.00 -2.10 0.00 0.00 70.33 68.81 1xfu n THR 787 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1xfu h ASP 788 N 0.00 0.06 -0.73 3.42 2.03 -1.99 -2.11 116.42 117.10 1xfu h ASP 788 Ca 0.00 0.01 0.12 0.00 -0.73 0.00 0.00 57.03 56.43 1xfu h ASP 788 Cb 0.00 -0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.38 1xfu h ASP 788 CO 0.00 0.02 -0.27 -3.20 -1.03 0.00 0.00 179.24 174.76 1xfu n ASN 789 N -4.28 -0.44 -0.10 4.15 2.85 -1.14 0.19 115.26 116.49 1xfu n ASN 789 Ca 0.22 1.27 -0.11 0.00 -0.11 0.00 0.00 54.58 55.85 1xfu n ASN 789 Cb 1.05 -0.31 -0.04 0.00 1.24 0.00 0.00 39.78 41.73 1xfu n ASN 789 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1xfu h PHE 790 N 0.00 0.55 -0.83 1.20 3.57 -1.44 0.24 116.94 120.23 1xfu h PHE 790 Ca 0.27 -0.10 0.11 0.00 3.53 0.00 0.00 57.97 61.79 1xfu h PHE 790 Cb 0.45 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1xfu h PHE 790 CO -0.63 0.65 0.54 0.93 -2.23 0.00 0.00 178.31 177.57 1xfu h GLU 791 N 0.29 0.69 0.34 1.11 5.08 0.73 0.35 114.58 123.17 1xfu h GLU 791 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1xfu h GLU 791 Cb 0.43 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xfu h GLU 791 CO 0.02 0.46 -0.16 0.28 -1.00 0.00 0.00 179.01 178.60 1xfu h VAL 792 N 0.71 0.00 -0.78 3.13 2.07 0.28 -2.88 116.25 118.78 1xfu h VAL 792 Ca 0.39 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 68.06 1xfu h VAL 792 Cb 0.54 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.17 1xfu h VAL 792 CO -0.16 0.00 -0.08 0.33 0.02 0.00 0.00 177.57 177.68 1xfu n PHE 793 N -3.34 0.40 0.00 1.57 7.35 0.76 -0.81 117.46 123.38 1xfu n PHE 793 Ca -0.06 0.94 0.00 0.00 -0.76 0.00 0.00 57.45 57.58 1xfu n PHE 793 Cb 0.18 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 38.99 1xfu n PHE 793 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1xfu n GLN 794 N -5.17 0.00 -0.33 -4.13 0.00 0.11 -1.70 117.38 106.16 1xfu n GLN 794 Ca 0.16 0.37 0.27 0.00 -0.00 0.00 0.00 57.00 57.80 1xfu n GLN 794 Cb 0.50 -1.08 0.51 0.00 0.00 0.00 0.00 30.24 30.18 1xfu n GLN 794 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1xfu h LYS 795 N 0.00 0.03 -0.14 3.69 1.57 -0.83 1.52 116.57 122.41 1xfu h LYS 795 Ca 0.00 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1xfu h LYS 795 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xfu h LYS 795 CO 0.00 0.02 0.34 0.82 -0.57 0.00 0.00 179.45 180.06 1xfu h ILE 796 N 0.03 0.16 -1.53 1.86 1.08 -0.07 -1.71 117.51 117.33 1xfu h ILE 796 Ca 0.78 0.00 -0.61 0.00 -0.39 0.00 0.00 64.86 64.64 1xfu h ILE 796 Cb 1.96 0.69 -0.40 0.00 -3.07 0.00 0.00 36.82 36.01 1xfu h ILE 796 CO -0.79 0.00 -0.46 2.30 -0.69 0.00 0.00 178.15 178.52 1xfu n ILE 797 N -3.24 2.57 -1.17 -0.67 -5.35 0.52 -5.07 119.36 106.96 1xfu n ILE 797 Ca 0.01 -4.77 0.00 0.00 -0.27 0.00 0.00 62.75 57.72 1xfu n ILE 797 Cb 0.43 -1.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.08 1xfu n ILE 797 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26